Geometry & MOs

Info

ID:

3551

PubChem CID:

9782

Reduced:

FO5C22H29 (1)

Stoich.:

AB5C22D29 (1)

Weight, g/mol:

392.199902

ΔHf, kcal/mol:

-266.81

Dipole, Da:

8.36

IP(EA), eV:

 -9.79(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)CO)O)C)O)F)C

DOS

IR

Vibrations