Geometry & MOs

Info

ID:

214544

PubChem CID:

85083172

Reduced:

O7C32H50 (1)

Stoich.:

A7B32C50 (1)

Weight, g/mol:

546.46481

ΔHf, kcal/mol:

-336.4

Dipole, Da:

3.46

IP(EA), eV:

 -9.48(0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4,9-dihydroxy-1-(1-hydroxy-2-methylpropyl)-8-methyl-5-(3-methylbut-2-enyl)-3,7-bis(3-methylbutyl)-8-(4-methylpentyl)bicyclo[3.3.1]non-3-en-2-one

Drug info:

PubChemData

Smile

CC(CC(C1C(O1)(C)C)OC(=O)C)C2C(=O)C(C3(C2(CCC45C3CCC6C4(C5)C(CC(C6(C)C)O)O)C)C)O

DOS

IR

Vibrations