Geometry & MOs

Info

ID:	28569
PubChem CID:	828405
Reduced:	SN3O4C16H17 (1)
Stoich.:	AB3C4D16E17 (1)
Weight, g/mol:	347.093977
ΔH_f, kcal/mol:	-100.53
Dipole, Da:	2.24
IP(EA), eV:	-8.51(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(4S)-5-cyano-4-(3,4-dimethoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)[C@H]2CC(=O)NC(=C2C#N)SCC(=O)N)OC

DOS

IR

Vibrations