Geometry & MOs

Info

ID:	21748
PubChem CID:	589749
Reduced:	SO2N4C18H18 (1)
Stoich.:	AB2C4D18E18 (1)
Weight, g/mol:	354.115047
ΔH_f, kcal/mol:	9.9
Dipole, Da:	6.32
IP(EA), eV:	-8.85(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-2-[(1-methylbenzimidazol-2-yl)methylsulfonylmethyl]benzimidazole

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2N=C1CS(=O)(=O)CC3=NC4=CC=CC=C4N3C

DOS

IR

Vibrations