Quantum chemical studies on Viagra - AM1 Treatment


Turker L.

ACH-MODELS IN CHEMISTRY, vol.137, pp.767-774, 2000 (Journal Indexed in SCI) identifier

  • Publication Type: Article / Article
  • Volume: 137
  • Publication Date: 2000
  • Title of Journal : ACH-MODELS IN CHEMISTRY
  • Page Numbers: pp.767-774

Abstract

AM1-RHF type semiempirical calculations were performed on two tautomeric, as well as the various monoprotonated forms of Viagra molecule. The calculations revealed that the pyrimidone form is more stable than the pyrimidinol tautomer. The frontier molecular orbital characteristics as well as some molecular properties were presented.