Geometry & MOs

Info

ID:

32276

PubChem CID:

6436286

Reduced:

NO8C28H37 (1)

Stoich.:

AB8C28D37 (1)

Weight, g/mol:

542.324354

ΔHf, kcal/mol:

-315.94

Dipole, Da:

6.88

IP(EA), eV:

 -9.35(-0.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2E,10E,12E,16Z,18E)-6-hydroxy-9-(hydroxymethyl)-3,5,7,11,15,17-hexamethyl-19-(3-methyl-6-oxo-2,3-dihydropyran-2-yl)-8-oxononadeca-2,10,12,16,18-pentaenoic acid

Drug info:

PubChemData

Smile

C[C@@H]1/C=C(/[C@]23[C@@H](C[C@H](C(=O)O[C@H]1C(C)O)OC)C=C[C@@H]4[C@H]2[C@@H]([C@H]([C@H]([C@@H]4O3)OC(=O)C5=CC=CN5)C)O)\C

DOS

IR

Vibrations