Geometry & MOs

Info

ID:

388991

PubChem CID:

134990832

Reduced:

SO11H26C29 (1)

Stoich.:

AB11C26D29 (1)

Weight, g/mol:

358.214409

ΔHf, kcal/mol:

-393.46

Dipole, Da:

7.23

IP(EA), eV:

 -8.78(-1.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC3=C2C(=O)C4=C(C5=C(C[C@](C[C@@H]5O)(C6(OCCO6)C)O)C(=C4C3=O)O)O

DOS

IR

Vibrations