Geometry & MOs

Info

ID:	3428
PubChem CID:	9647
Reduced:	FO3C19H25 (1)
Stoich.:	AB3C19D25 (1)
Weight, g/mol:	320.178773
ΔH_f, kcal/mol:	-143.96
Dipole, Da:	3.54
IP(EA), eV:	-8.83(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8S,9R,10S,11S,13S)-9-fluoro-11-hydroxy-10,13-dimethyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,17-dione

Drug info:

PubChemData

Smile

C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@]2([C@H](C[C@]4(C3CCC4=O)C)O)F

DOS

IR

Vibrations