Geometry & MOs

Info

ID:	261206
PubChem CID:	103222475
Reduced:	ClIN3H7C12 (1)
Stoich.:	ABC3D7E12 (1)
Weight, g/mol:	431.91962
ΔH_f, kcal/mol:	103.2
Dipole, Da:	6.68
IP(EA), eV:	-9.31(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-chloro-4-iodophenyl)-6-methylsulfonyl-1H-benzimidazole

Drug info:

PubChemData

Smile

C1=CC2=C(N=C1)N=C(N2)C3=CC(=C(C=C3)I)Cl

DOS

IR

Vibrations