Geometry & MOs

Info

ID:

125168

PubChem CID:

50912978

Reduced:

O7C20H21 (2)

Stoich.:

A7B20C21 (2)

Weight, g/mol:

535.052418

ΔHf, kcal/mol:

-528.23

Dipole, Da:

2.42

IP(EA), eV:

 -9.08(-1.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-chloro-3-(1H-indazol-3-yl)phenyl]-2-(3-chlorophenyl)-4-methylsulfonylbenzamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CC[C@H](O)O[C@H]2[C@@H]([C@H](O[C@H]([C@@H]2OC(CCC3=CC=C(C=C3)C)O)OC4=C(OC5=CC(=CC(=C5C4=O)O)O)C6=CC(=C(C=C6)O)O)O)O

DOS

IR

Vibrations