Geometry & MOs

Info

ID:

3565

PubChem CID:

9799

Reduced:

FO5C22H31 (1)

Stoich.:

AB5C22D31 (1)

Weight, g/mol:

394.215552

ΔHf, kcal/mol:

-290.59

Dipole, Da:

4.81

IP(EA), eV:

 -9.88(-0.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]1CC2C3C[C@@H](C4=CC(=O)CCC4(C3C(CC2([C@]1(C(=O)CO)O)C)O)C)F

DOS

IR

Vibrations