Geometry & MOs

Info

ID:

232556

PubChem CID:

87576414

Reduced:

NO3C40H79 (1)

Stoich.:

AB3C40D79 (1)

Weight, g/mol:

1045.372736

ΔHf, kcal/mol:

-308.97

Dipole, Da:

5.28

IP(EA), eV:

 -9.66(0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-(benzenesulfonamido)-N-[5-(methylamino)-1-propylbenzimidazol-2-yl]benzamide;3-(benzenesulfonamido)-N-[5-[methyl(phenylcarbamoyl)amino]-1-propylbenzimidazol-2-yl]benzamide

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC)C(=O)OC(=O)CC

DOS

IR

Vibrations