Geometry & MOs

Info

ID:

232554

PubChem CID:

87576412

Reduced:

S2O7N11C55H55 (1)

Stoich.:

A2B7C11D55E55 (1)

Weight, g/mol:

582.204925

ΔHf, kcal/mol:

-71.55

Dipole, Da:

4.65

IP(EA), eV:

 -8.55(-1.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-(benzenesulfonamido)-N-[6-[3-[methyl(phenylcarbamoyl)amino]propyl]-1H-benzimidazol-2-yl]benzamide

Drug info:

PubChemData

Smile

CNCCCC1=CC2=C(C=C1)N=C(N2)NC(=O)C3=CC(=CC=C3)NS(=O)(=O)C4=CC=CC=C4.CN(CCCC1=CC2=C(C=C1)N=C(N2)NC(=O)C3=CC(=CC=C3)NS(=O)(=O)C4=CC=CC=C4)C(=O)NC5=CC=CC=C5

DOS

IR

Vibrations