Geometry & MOs

Info

ID:	394340
PubChem CID:	135022786
Reduced:	OC7H13 (2)
Stoich.:	AB7C13 (2)
Weight, g/mol:	360.193674
ΔH_f, kcal/mol:	-144.64
Dipole, Da:	1.98
IP(EA), eV:	-10.27(1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(9S,10R,13S,14S,17R)-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,11-dione

Drug info:

PubChemData

Smile

CCCC[C@H]1CCCC[C@]1(C)C(=O)OCC

DOS

IR

Vibrations