Geometry & MOs

Info

ID:	177580
PubChem CID:	76201557
Reduced:	ClSN3O3H20C21 (1)
Stoich.:	ABC3D3E20F21 (1)
Weight, g/mol:	480.057838
ΔH_f, kcal/mol:	-57.65
Dipole, Da:	6.81
IP(EA), eV:	-9.09(-1.51)
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-chlorophenyl)prop-2-enamide

Drug info:

PubChemData

Smile

C1COCCN1C(=O)C2=CC(=C(C=C2)Cl)NC(=S)NC(=O)C=CC3=CC=CC=C3

DOS

IR

Vibrations