Abstract
Calculations of AM1 potential energies for conformations of N-(1,β-ribosyl)-1,4-dihydronicotinamide (3H) and N-(1,β-ribosyl)nicotinamide (3), as defined by the nicotinamide ring deformation angles α C and α N and the torsion angles X n and X am , have been carried out. X n is the angle of rotation of the nicotinamide ring relative to the ribose ring and the conformers are designated as syn (nicotinamide-CONH 2 and ribose ring O are close) and anti (nicotinamide-CONH 2 and ribose ring O are distant). The angles α C and α N reflect the degree of bending of nicotinamide N and C4 out of the plane with C2, C3, C5, and C6 to provide quasi-boat and quasi-half-chair conformations
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