Geometry & MOs

Info

ID:

3019

PubChem CID:

9053

Reduced:

FO4C22H29 (1)

Stoich.:

AB4C22D29 (1)

Weight, g/mol:

376.204988

ΔHf, kcal/mol:

-219.95

Dipole, Da:

7.43

IP(EA), eV:

 -9.87(-0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(6S,8S,9S,10R,11S,13S,14S,16R,17S)-6-fluoro-11-hydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one

Drug info:

PubChemData

Smile

C[C@@H]1C[C@H]2[C@@H]3C[C@@H](C4=CC(=O)C=C[C@@]4([C@H]3[C@H](C[C@@]2([C@H]1C(=O)CO)C)O)C)F

DOS

IR

Vibrations