Geometry & MOs

Info

ID:	206380
PubChem CID:	80241756
Reduced:	OSN3C13H15 (1)
Stoich.:	ABC3D13E15 (1)
Weight, g/mol:	351.97035
ΔH_f, kcal/mol:	5.24
Dipole, Da:	3.34
IP(EA), eV:	-8.88(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-3-[(3-ethylthiophen-2-yl)methyl]-1H-benzimidazole-2-thione

Drug info:

PubChemData

Smile

CCC1=C(SC=C1)CNC(=O)C2=NC(=CC=C2)N

DOS

IR

Vibrations