Geometry & MOs

Info

ID:

166059

PubChem CID:

74631234

Reduced:

SN3O4H16C22 (1)

Stoich.:

AB3C4D16E22 (1)

Weight, g/mol:

471.194026

ΔHf, kcal/mol:

35.57

Dipole, Da:

21.08

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.168073

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(4-methylpiperidin-1-yl)propyl]-2-[(2-oxo-3,5-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C3=C(S2)N=CN(C3=O)N=CC4=CC=C(O4)C5=CC=C(C=C5)C(=O)[O-]

DOS

IR

Vibrations