Geometry & MOs

Info

ID:

169165

PubChem CID:

75069383

Reduced:

O7C27H40 (1)

Stoich.:

A7B27C40 (1)

Weight, g/mol:

456.360345

ΔHf, kcal/mol:

-240.54

Dipole, Da:

2.11

IP(EA), eV:

 -8.39(-0.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-(3-hydroxy-4,4,9,13,14-pentamethyl-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-methylhept-2-enoic acid

Drug info:

PubChemData

Smile

CC1=C2C(CC3(O2)C(CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)O)(C(=O)C(=C1)OC)OO

DOS

IR

Vibrations