Geometry & MOs

Info

ID:	177583
PubChem CID:	76201560
Reduced:	ClSO2N4H21C25 (1)
Stoich.:	ABC2D4E21F25 (1)
Weight, g/mol:	446.09681
ΔH_f, kcal/mol:	21.3
Dipole, Da:	10.04
IP(EA), eV:	-8.63(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-(5-chloro-6-methyl-1H-benzimidazol-2-yl)phenyl]carbamothioyl]-3-phenylprop-2-enamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1Cl)N=C(N2)C3=CC=C(C=C3)NC(=S)NC(=O)C=CC4=CC=C(C=C4)OC

DOS

IR

Vibrations