Geometry & MOs

Info

ID:

54487

PubChem CID:

17388762

Reduced:

FO6C23H29 (1)

Stoich.:

AB6C23D29 (1)

Weight, g/mol:

378.184252

ΔHf, kcal/mol:

-312.29

Dipole, Da:

7.9

IP(EA), eV:

 -9.93(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(O[C@@H]2CC3C4CCC5=CC(=O)C=CC5([C@]4(C(CC3([C@@]2(O1)C(=O)O)C)O)F)C)C

DOS

IR

Vibrations