Geometry & MOs

Info

ID:	41765
PubChem CID:	8147055
Reduced:	OSN3C25H27 (1)
Stoich.:	ABC3D25E27 (1)
Weight, g/mol:	403.135448
ΔH_f, kcal/mol:	21.39
Dipole, Da:	4.04
IP(EA), eV:	-8.7(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-cyano-2,4-dimethyl-3-methylsulfanyl-6-oxopyridin-1-yl)-2,2-diphenylacetamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)[C@H](C(C)C)NCC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2

DOS

IR

Vibrations