Geometry & MOs

Info

ID:

15259

PubChem CID:

435219

Reduced:

O4C14H19 (2)

Stoich.:

A4B14C19 (2)

Weight, g/mol:

502.256668

ΔHf, kcal/mol:

-355.32

Dipole, Da:

4.72

IP(EA), eV:

 -9.26(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[1-hydroxy-1-(4,5,6,17-tetrahydroxy-10,13-dimethyl-1-oxo-4,6,7,8,9,11,12,16-octahydrocyclopenta[a]phenanthren-17-yl)ethyl]-4,5-dimethyl-2,3-dihydropyran-6-one

Drug info:

PubChemData

Smile

CC1=C(C(=O)OC(C1)C(C)(C2(CC=C3C2(CCC4C3CC(C5(C4(C(=O)C=CC5O)C)O)O)C)O)O)C

DOS

IR

Vibrations