Geometry & MOs

Info

ID:

1168

PubChem CID:

3901

Reduced:

O6C35H50 (1)

Stoich.:

A6B35C50 (1)

Weight, g/mol:

566.360739

ΔHf, kcal/mol:

-244.07

Dipole, Da:

6.07

IP(EA), eV:

 -9.09(-0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

19-ethyl-6-hydroxy-5,7,9,11,13,17-hexamethyl-21-(3-methyl-6-oxo-2,3-dihydropyran-2-yl)-8-oxohenicosa-2,10,12,14,18,20-hexaenoic acid

Drug info:

PubChemData

Smile

CCC(=CC(C)CC=CC(=CC(=CC(C)C(=O)C(C)C(C(C)CC=CC(=O)O)O)C)C)C=CC1C(C=CC(=O)O1)C

DOS

IR

Vibrations