Geometry & MOs

Info

ID:	177582
PubChem CID:	76201559
Reduced:	ClOSN4H25C27 (1)
Stoich.:	ABCD4E25F27 (1)
Weight, g/mol:	476.107375
ΔH_f, kcal/mol:	43.65
Dipole, Da:	8.75
IP(EA), eV:	-8.71(-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-(4-methoxyphenyl)prop-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)C(C)C

DOS

IR

Vibrations