Geometry & MOs

Info

ID:

187635

PubChem CID:

77602010

Reduced:

O6C25H36 (1)

Stoich.:

A6B25C36 (1)

Weight, g/mol:

432.251189

ΔHf, kcal/mol:

-283.07

Dipole, Da:

8.09

IP(EA), eV:

 -10.06(-0.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1'-hydroxy-17'-(2-hydroxyacetyl)-10',13'-dimethyl-17'-propylspiro[1,3-dioxetane-2,2'-1,6,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene]-3'-one

Drug info:

PubChemData

Smile

CCCC1OC2CC3C4CCC5=CC(=O)CC(C5(C4CCC3(C2(O1)C(=O)CO)C)C)O

DOS

IR

Vibrations