Geometry & MOs

Info

ID:

51160

PubChem CID:

12013791

Reduced:

Cl2O3H30C35 (1)

Stoich.:

A2B3C30D35 (1)

Weight, g/mol:

410.164872

ΔHf, kcal/mol:

-48.82

Dipole, Da:

5.64

IP(EA), eV:

 -9.67(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3aS,4S,6R,7R,7aS)-4-(4-chlorophenyl)-4,7a-dihydroxy-6-phenylspiro[1,2,3,3a,5,6-hexahydroindene-7,2'-cyclopentane]-1'-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations