Geometry & MOs

Info

ID:	198399
PubChem CID:	79096283
Reduced:	BrClSO3N4C11H12 (1)
Stoich.:	ABCD3E4F11G12 (1)
Weight, g/mol:	256.084792
ΔH_f, kcal/mol:	-77.29
Dipole, Da:	5.97
IP(EA), eV:	-9.48(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-ethylfuran-2-yl)-3H-benzimidazole-5-carboxylic acid

Drug info:

PubChemData

Smile

C1CN2C(CNC2=O)CN1S(=O)(=O)C3=C(N=CC(=C3)Br)Cl

DOS

IR

Vibrations