Geometry & MOs

Info

ID:

51541

PubChem CID:

12014225

Reduced:

O3H25C27 (2)

Stoich.:

A3B25C27 (2)

Weight, g/mol:

378.313395

ΔHf, kcal/mol:

-132.74

Dipole, Da:

3.09

IP(EA), eV:

 -8.46(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3R,5R,8S,9S,10S,12S,13R,14S,17R)-17-[(2R)-5-hydroxypentan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,12-diol

Drug info:

PubChemData

Smile

CCOC(=O)CCCCOC1=C(C2=CC=CC=C2C=C1C3=CC4=CC=CC=C4C=C3)C5=C(C(=CC6=CC=CC=C65)C7=CC8=CC=CC=C8C=C7)OCCCCC(=O)OCC

DOS

IR

Vibrations