Geometry & MOs

Info

ID:	402556
PubChem CID:	135056378
Reduced:	KO2C18H31 (1)
Stoich.:	AB2C18D31 (1)
Weight, g/mol:	358.194423
ΔH_f, kcal/mol:	-165.07
Dipole, Da:	6.85
IP(EA), eV:	-9.11(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCC/C=C\C/C=C/CCCCCCCC(=O)[O-].[K+]

DOS

IR

Vibrations