Geometry & MOs

Info

ID:

25735

PubChem CID:

629802

Reduced:

NO5C24H29 (1)

Stoich.:

AB5C24D29 (1)

Weight, g/mol:

594.355654

ΔHf, kcal/mol:

-175.61

Dipole, Da:

4.08

IP(EA), eV:

 -8.31(-0.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-(3-acetyloxy-14-hydroxy-10,13-dimethyl-6-oxo-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl)-6-hydroxy-6-methylheptan-3-yl] benzoate

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)N1CC2=CC(=C(C=C2CC1C(=O)OCC3=CC=CC=C3)OC)OC

DOS

IR

Vibrations