Geometry & MOs

Info

ID:

44242

PubChem CID:

10502142

Reduced:

O5C25H38 (1)

Stoich.:

A5B25C38 (1)

Weight, g/mol:

418.30831

ΔHf, kcal/mol:

-273.53

Dipole, Da:

3.83

IP(EA), eV:

 -9.11(0.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,6S,9R,10R,13R,15R,17R)-17-[(E,2R)-6-hydroxy-5-methylhex-3-en-2-yl]-10,13-dimethyl-2,3,4,5,6,7,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,6,15-triol

Drug info:

PubChemData

Smile

CCCC[C@@H](C[C@@H](CCC1=CC=C(C=C1)C2CCCO2)C(=O)O)C(=O)OC(C)(C)C

DOS

IR

Vibrations