Geometry & MOs

Info

ID:	129734
PubChem CID:	51073679
Reduced:	ClNS2O3C13H16 (1)
Stoich.:	ABC2D3E13F16 (1)
Weight, g/mol:	342.060903
ΔH_f, kcal/mol:	-129.81
Dipole, Da:	5.03
IP(EA), eV:	-9.09(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-2-(3-methyl-1H-benzimidazol-2-ylidene)-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-oxobutanenitrile

Drug info:

PubChemData

Smile

CC(C(=O)NC1CCS(=O)(=O)C1)SC2=CC=C(C=C2)Cl

DOS

IR

Vibrations