Geometry & MOs

Info

ID:

44893

PubChem CID:

10506399

Reduced:

O3C37H38 (1)

Stoich.:

A3B37C38 (1)

Weight, g/mol:

530.360739

ΔHf, kcal/mol:

-81.78

Dipole, Da:

4.75

IP(EA), eV:

 -8.84(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(1S,3R)-3-[(8S,9S,10S,11R,12S,14R)-11,12-dihydroxy-4,4,8,10,14-pentamethyl-3-oxo-1,2,5,6,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-17-yl]-1-[(2R)-3,3-dimethyloxiran-2-yl]butyl] acetate

Drug info:

PubChemData

Smile

C1C2CC3CC1CC(C2)(C3)C4=C(C=CC(=C4)C5=CC6=C(C=C5)C=C(C=C6)C(=O)OCC7=CC=CC=C7)CCCO

DOS

IR

Vibrations