Geometry & MOs

Info

ID:

51159

PubChem CID:

12013790

Reduced:

O3H32C35 (1)

Stoich.:

A3B32C35 (1)

Weight, g/mol:

568.1572

ΔHf, kcal/mol:

-32.98

Dipole, Da:

3.44

IP(EA), eV:

 -9.26(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(3aS,4R,5S,6S,7R,7aS)-7-(4-chlorobenzoyl)-7a-hydroxy-4,6-diphenyl-1,2,3,3a,4,5,6,7-octahydroinden-5-yl]-(4-chlorophenyl)methanone

Drug info:

PubChemData

Smile

C1C[C@H]2[C@H]([C@@H]([C@@H]([C@H]([C@@]2(C1)O)C(=O)C3=CC=CC=C3)C4=CC=CC=C4)C(=O)C5=CC=CC=C5)C6=CC=CC=C6

DOS

IR

Vibrations