Geometry & MOs

Info

ID:	218172
PubChem CID:	85088989
Reduced:	PO5C24H37 (1)
Stoich.:	AB5C24D37 (1)
Weight, g/mol:	436.171973
ΔH_f, kcal/mol:	-300.05
Dipole, Da:	1.98
IP(EA), eV:	-8.57(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-propanoyl 9-fluoro-11,17-dihydroxy-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-17-carbothioate

Drug info:

PubChemData

Smile

CCOP(=O)(C(C)(C)C(=O)C=CC1=CC(=C(C2=C1CCCC2)O)C(C)(C)C)OCC

DOS

IR

Vibrations