Geometry & MOs

Info

ID:	261209
PubChem CID:	103222496
Reduced:	ClIN2H12C15 (1)
Stoich.:	ABC2D12E15 (1)
Weight, g/mol:	431.91962
ΔH_f, kcal/mol:	71.7
Dipole, Da:	4.91
IP(EA), eV:	-8.9(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC2=C(C=C1)N=C(N2)C3=CC(=C(C=C3)I)Cl

DOS

IR

Vibrations