Geometry & MOs

Info

ID:	43962
PubChem CID:	10322468
Reduced:	ClSN3O3C24H24 (1)
Stoich.:	ABC3D3E24F24 (1)
Weight, g/mol:	470.08551
ΔH_f, kcal/mol:	-42.44
Dipole, Da:	7.44
IP(EA), eV:	-8.83(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-dimethyl-2-[phenyl(phenylmethoxy)methyl]benzimidazol-3-ium;iodide

Drug info:

PubChemData

Smile

CN1CC2=CC=CC=C2[C@H](N=C1OCC3=CC=C(C=C3)NS(=O)(=O)C)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations