Geometry & MOs

Info

ID:

218389

PubChem CID:

85089266

Reduced:

O4C29H42 (1)

Stoich.:

A4B29C42 (1)

Weight, g/mol:

454.30831

ΔHf, kcal/mol:

-196.99

Dipole, Da:

8.65

IP(EA), eV:

 -8.35(0.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-methyl-3-methylidene-6-(4,10,13-trimethyl-3,11-dioxo-2,4,5,6,7,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl)heptanoic acid

Drug info:

PubChemData

Smile

CC1(CCC2(CCC3C(C2C1)CC(=O)C4C3(CCC5C4(C=CC(=O)C5(C)C)C)C)C(=O)O)C

DOS

IR

Vibrations