Geometry & MOs

Info

ID:	37911
PubChem CID:	8025518
Reduced:	ON4C16H16 (1)
Stoich.:	AB4C16D16 (1)
Weight, g/mol:	307.077933
ΔH_f, kcal/mol:	49.58
Dipole, Da:	1.89
IP(EA), eV:	-9.03(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-4-(1H-benzimidazol-2-ylsulfanyl)-3-oxo-2-phenylbutanenitrile

Drug info:

PubChemData

Smile

CCC1=CC(=CC=C1)NC(=O)CN2C3=CC=CC=C3N=N2

DOS

IR

Vibrations