Geometry & MOs

Info

ID:

85346

PubChem CID:

49874134

Reduced:

O6C19H24 (1)

Stoich.:

A6B19C24 (1)

Weight, g/mol:

536.38656

ΔHf, kcal/mol:

-253.66

Dipole, Da:

2.48

IP(EA), eV:

 -10.39(0.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,5R,7R,8S)-4-hydroxy-8-methyl-3,5,7-tris(3-methylbut-2-enyl)-8-(4-methylpent-3-enyl)-1-(2-methylpropanoyl)bicyclo[3.3.1]non-3-ene-2,9-dione

Drug info:

PubChemData

Smile

C[C@]12C[C@@H](C[C@]3([C@H]1[C@H](C45[C@@H]3CC[C@](C4)(C(=C)C5)O)C(=O)O)OC2=O)O

DOS

IR

Vibrations