Geometry & MOs

Info

ID:

9564

PubChem CID:

90962

Reduced:

F2O6C25H32 (1)

Stoich.:

A2B6C25D32 (1)

Weight, g/mol:

466.216695

ΔHf, kcal/mol:

-353.39

Dipole, Da:

9.66

IP(EA), eV:

 -9.92(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[6,9-difluoro-11-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] butanoate

Drug info:

PubChemData

Smile

CCCC(=O)OC1(CCC2C1(CC(C3(C2CC(C4=CC(=O)C=CC43C)F)F)O)C)C(=O)CO

DOS

IR

Vibrations