Geometry & MOs

Info

ID:

5066

PubChem CID:

12536

Reduced:

O3C12H16 (2)

Stoich.:

A3B12C16 (2)

Weight, g/mol:

416.219889

ΔHf, kcal/mol:

-260.13

Dipole, Da:

9.17

IP(EA), eV:

 -9.73(-0.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,4R,8S,12S)-11-hydroxy-8-(2-hydroxyacetyl)-6,6,9,13-tetramethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one

Drug info:

PubChemData

Smile

CC1(O[C@@H]2C[C@H]3C4CCC5=CC(=O)C=CC5([C@H]4C(CC3([C@@]2(O1)C(=O)CO)C)O)C)C

DOS

IR

Vibrations