Geometry & MOs

Info

ID:	89834
PubChem CID:	49964935
Reduced:	SN3H15C19 (1)
Stoich.:	AB3C15D19 (1)
Weight, g/mol:	380.04986
ΔH_f, kcal/mol:	113.16
Dipole, Da:	1.82
IP(EA), eV:	-9.08(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CSC2=C(C=CC(=N2)C3=CC=NC=C3)C#N

DOS

IR

Vibrations