Geometry & MOs

Info

ID:	159164
PubChem CID:	57264278
Reduced:	SO4C8H12 (2)
Stoich.:	AB4C8D12 (2)
Weight, g/mol:	374.172939
ΔH_f, kcal/mol:	-332.35
Dipole, Da:	1.84
IP(EA), eV:	-8.33(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=C2C(C(CCC2=C1)CCOS(=O)(=O)C)CS(=O)(=O)O)OC

DOS

IR

Vibrations