Geometry & MOs

Info

ID:

54486

PubChem CID:

17388761

Reduced:

O3C12H16 (2)

Stoich.:

A3B12C16 (2)

Weight, g/mol:

420.194817

ΔHf, kcal/mol:

-270.72

Dipole, Da:

9.29

IP(EA), eV:

 -9.8(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4R,8S,12R)-12-fluoro-11-hydroxy-6,6,9,13-tetramethyl-16-oxo-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-diene-8-carboxylic acid

Drug info:

PubChemData

Smile

CCCC1O[C@@H]2CC3C4CCC5=CC(=O)C=CC5(C4C(CC3([C@@]2(O1)C(=O)O)C)O)C

DOS

IR

Vibrations