Geometry & MOs

Info

ID:	3560
PubChem CID:	9793
Reduced:	FO4C22H29 (1)
Stoich.:	AB4C22D29 (1)
Weight, g/mol:	376.204988
ΔH_f, kcal/mol:	-227.05
Dipole, Da:	7.37
IP(EA), eV:	-9.89(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]1CC2C3CCC4=CC(=O)C=CC4([C@]3(C(CC2(C1C(=O)CO)C)O)F)C

DOS

IR

Vibrations