WJPR Citation New

  All Since 2011
 Citation  2903  2393
 h-index  27  24
 i10-index  68  60

Login

Best Paper Awards

World Journal of Pharmaceutical Research (WJPR) will give best paper award in every issue in the form of money along with certificate to promote research activity of scholar.
            Best Paper Award :
Dr. Muhammad Baqir MR Fakhrildin
Download Article: Click Here

Search

Track Your Article

Abstract

AM1 STUDY ON THE ELECTRONIC STRUCTURE AND CONFORMATIONS OF LACTAM-LACTIM TAUTOMERISM IN PHENETHICILLIN

Banda Upender Reddy, Bojja Rajeshwar Rao and Battu Satyanarayana*

ABSTRACT

The geometry, conformation and electronic structure of lactam-lactim tautomerism in phenethicillin have been optimized and calculated in the gas phase by semi-empirical molecular orbital AM1 method usually considering an isolated molecule surrounded by vacuum. In this connection, the mechanism of protonation in lactim tautomer of phenethicillin has been studied by comparison of the different positions of net charges at nitrogen atoms in the molecule. Further, the heats of formation (ΔHf o), dipole moment (μ), ionization potential (IP), full atomic charges and energies of frontier molecular orbitals (EHOMO and ELUMO) have been performed and discussed. The conformational analyses of mono- and di-protonated lactim tautomers and their stable conformations have also been performed.

Keywords: AM1, lactam-lactim tautomerism, phenethicillin, induction effect, frontier molecular orbital.


[Full Text Article]

Call for Paper

World Journal of Pharmaceutical Research (WJPR)
Read More

Email & SMS Alert

World Journal of Pharmaceutical Research (WJPR)
Read More

Article Statistics

World Journal of Pharmaceutical Research (WJPR)
Read More

Online Submission

World Journal of Pharmaceutical Research (WJPR)
Read More