Geometry & MOs

Info

ID:	245378
PubChem CID:	99444094
Reduced:	ClN2O3C21H21 (1)
Stoich.:	AB2C3D21E21 (1)
Weight, g/mol:	350.120132
ΔH_f, kcal/mol:	-38.99
Dipole, Da:	4.66
IP(EA), eV:	-8.81(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-cyanophenyl)methyl]-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide

Drug info:

PubChemData

Smile

CC[C@@H](C1=CC(=CC=C1)Cl)NC(=O)/C=C/C2=CC(=C(C=C2)OCC#N)OC

DOS

IR

Vibrations