Geometry & MOs

Info

ID:

232553

PubChem CID:

87576411

Reduced:

BrN2O4H21C22 (1)

Stoich.:

AB2C4D21E22 (1)

Weight, g/mol:

1045.372736

ΔHf, kcal/mol:

-126.85

Dipole, Da:

7.01

IP(EA), eV:

 -8.92(-1.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)CCC1=C(NC2=C1C(=O)CCC2)/C=C/3\C4=C(C=CC(=C4)Br)NC3=O

DOS

IR

Vibrations