Geometry & MOs

Info

ID:	15780
PubChem CID:	450436
Reduced:	IO2C18H23 (1)
Stoich.:	AB2C18D23 (1)
Weight, g/mol:	396.07443
ΔH_f, kcal/mol:	-84.02
Dipole, Da:	4.85
IP(EA), eV:	-8.75(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8R,9S,13S,14S,17S)-2-(125I)iodanyl-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol

Drug info:

PubChemData

Smile

C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=CC(=C(C=C34)[125I])O

DOS

IR

Vibrations