Geometry & MOs

Info

ID:	3651
PubChem CID:	9915
Reduced:	FOC19H31 (1)
Stoich.:	ABC19D31 (1)
Weight, g/mol:	294.235894
ΔH_f, kcal/mol:	-157.07
Dipole, Da:	2.73
IP(EA), eV:	-10.19(2.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,5S,17S)-3-fluoro-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-ol

Drug info:

PubChemData

Smile

CC12CC[C@@H](C[C@@H]1CCC3C2CCC4(C3CC[C@@H]4O)C)F

DOS

IR

Vibrations