Geometry & MOs

Info

ID:	80788
PubChem CID:	49836722
Reduced:	ClOSN3H12C18 (1)
Stoich.:	ABCD3E12F18 (1)
Weight, g/mol:	333.093583
ΔH_f, kcal/mol:	53.14
Dipole, Da:	7.27
IP(EA), eV:	-8.8(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(4-methyl-1H-benzimidazol-2-yl)phenyl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)NC(=O)C2=CC=CS2)C3=NC4=C(N3)C=C(C=C4)Cl

DOS

IR

Vibrations