Geometry & MOs

Info

ID:

3559

PubChem CID:

9792

Reduced:

FO5C22H31 (1)

Stoich.:

AB5C22D31 (1)

Weight, g/mol:

394.215552

ΔHf, kcal/mol:

-292.02

Dipole, Da:

6.78

IP(EA), eV:

 -9.67(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(8S,9R,10S,11S,13S,14S,17R)-9-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-2,10,13-trimethyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one

Drug info:

PubChemData

Smile

CC1C[C@]2(C(=CC1=O)CC[C@@H]3[C@@]2([C@H](C[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C)O)F)C

DOS

IR

Vibrations