Geometry & MOs

Info

ID:	11973
PubChem CID:	124762
Reduced:	IO3C25H25 (1)
Stoich.:	AB3C25D25 (1)
Weight, g/mol:	500.08484
ΔH_f, kcal/mol:	-81.06
Dipole, Da:	1.99
IP(EA), eV:	-8.94(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(8R,9S,13S,14S)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] 2-iodobenzoate

Drug info:

PubChemData

Smile

C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=C3C=CC(=C4)OC(=O)C5=CC=CC=C5I

DOS

IR

Vibrations