Geometry & MOs

Info

ID:

149573

PubChem CID:

53789246

Reduced:

O5H16C17 (1)

Stoich.:

A5B16C17 (1)

Weight, g/mol:

444.231202

ΔHf, kcal/mol:

-155.46

Dipole, Da:

2.56

IP(EA), eV:

 -8.96(-0.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-[(8S,9S,10R,13S,14S,17S)-6-fluoro-10,13-dimethyl-3-oxo-8,9,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 3-hydroxy-2-methylbutanoate

Drug info:

PubChemData

Smile

COC1=CC2=C(CC(=O)C(O2)C3=CC=C(C=C3)O)C(=C1)OC

DOS

IR

Vibrations