Geometry & MOs

Info

ID:

16430

PubChem CID:

469012

Reduced:

OC5H7 (6)

Stoich.:

AB5C7 (6)

Weight, g/mol:

498.298139

ΔHf, kcal/mol:

-239.93

Dipole, Da:

3.3

IP(EA), eV:

 -9.2(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(1R,2S,6R,10S,11R,13S,15R)-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxo-13-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] deca-3,5-dienoate

Drug info:

PubChemData

Smile

CCCCC=CC=CCC(=O)O[C@@]12C[C@H]([C@]3([C@H]([C@@H]1C2(C)C)C=C(C[C@]4([C@H]3C=C(C4=O)C)O)CO)O)C

DOS

IR

Vibrations