Geometry & MOs

Info

ID:	89837
PubChem CID:	49964944
Reduced:	SO3N5H17C21 (1)
Stoich.:	AB3C5D17E21 (1)
Weight, g/mol:	380.04986
ΔH_f, kcal/mol:	3.35
Dipole, Da:	9.6
IP(EA), eV:	-8.48(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chlorophenyl)-2-(3-cyano-6-pyridin-4-ylpyridin-2-yl)sulfanylacetamide

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1C2C(=C(OC3=C2C(=O)NC4=C3SC(=C4C#N)NC)N)C#N

DOS

IR

Vibrations