Geometry & MOs

Info

ID:	60961
PubChem CID:	26703656
Reduced:	ClNO2C18H18 (1)
Stoich.:	ABC2D18E18 (1)
Weight, g/mol:	391.110296
ΔH_f, kcal/mol:	-61.56
Dipole, Da:	4.12
IP(EA), eV:	-8.96(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-cyanophenyl)-4-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]benzamide

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1NC(=O)[C@H]2CC3=C(C=CC(=C3)Cl)OC2

DOS

IR

Vibrations