Geometry & MOs

Info

ID:

2121

PubChem CID:

5876

Reduced:

FO5C21H27 (1)

Stoich.:

AB5C21D27 (1)

Weight, g/mol:

378.184252

ΔHf, kcal/mol:

-257.7

Dipole, Da:

4.7

IP(EA), eV:

 -10.09(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(6S,8S,9S,10R,11S,13S,14S,17R)-6-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one

Drug info:

PubChemData

Smile

C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)C[C@@H](C4=CC(=O)C=C[C@]34C)F)O

DOS

IR

Vibrations