Geometry & MOs

Info

ID:

445314

PubChem CID:

135266057

Reduced:

N3O3C19H21 (1)

Stoich.:

A3B3C19D21 (1)

Weight, g/mol:

938.30846

ΔHf, kcal/mol:

-87.34

Dipole, Da:

7.0

IP(EA), eV:

 -8.73(-1.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[[4-[4-[3-[5-(4-chlorophenyl)-1-methylimidazol-4-yl]phenyl]piperazin-1-yl]phenyl]sulfamoyl]-2-[(3R)-5-(4-hydroxypiperidin-1-yl)-3-(phenylsulfanylmethyl)pentyl]benzenesulfinic acid

Drug info:

PubChemData

Smile

CC(=O)N1CCCC2=C1C=CC(=C2)C3=NC=C(C=C3)C(=O)NCCO

DOS

IR

Vibrations