Geometry & MOs

Info

ID:	6120
PubChem CID:	67085
Reduced:	IO2C20H23 (1)
Stoich.:	AB2C20D23 (1)
Weight, g/mol:	422.07428
ΔH_f, kcal/mol:	-16.83
Dipole, Da:	2.98
IP(EA), eV:	-8.86(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8R,9S,13S,14S)-17-(2-iodoethynyl)-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol

Drug info:

PubChemData

Smile

C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2(C#CI)O)CCC4=C3C=CC(=C4)O

DOS

IR

Vibrations