Ab initio conformational analysis has been carried out on 3-mercapto-propanamide, (R)- and (S)-2-methyl-3-mercaptopropanamide as well as their S-deprotonated conjugate basis. They were carried out at the HF/3-21G level of theory. The topology of the conformational potential energy surfaces and hypersurfaces have been analysed. (C) 2000 Elsevier Science B.V.
- (R)- and (S)-2-methyl-3-mercapto-propanamide
- S-deprotonated conjugate basis
ASJC Scopus subject areas
- Condensed Matter Physics
- Physical and Theoretical Chemistry