Geometry & MOs

Info

ID:

5971

PubChem CID:

14202

Reduced:

O3C13H18 (2)

Stoich.:

A3B13C18 (2)

Weight, g/mol:

444.251189

ΔHf, kcal/mol:

-269.01

Dipole, Da:

6.36

IP(EA), eV:

 -9.85(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-(11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl] 2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

CC12CC(C3C(C1CCC2(C(=O)COC(=O)C(C)(C)C)O)CCC4=CC(=O)C=CC34C)O

DOS

IR

Vibrations