Geometry & MOs

Info

ID:

175852

PubChem CID:

75960633

Reduced:

PO13C45H79 (1)

Stoich.:

AB13C45D79 (1)

Weight, g/mol:

856.51018

ΔHf, kcal/mol:

-721.38

Dipole, Da:

6.55

IP(EA), eV:

 -9.59(0.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxy-2-octadeca-6,9,12,15-tetraenoyloxypropyl] octadec-9-enoate

Drug info:

PubChemData

Smile

CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)(O)OC1C(C(C(C(C1O)O)O)O)O)OC(=O)CCCCC=CCC=CCC=CCCCCC

DOS

IR

Vibrations