Geometry & MOs

Info

ID:

175855

PubChem CID:

75960636

Reduced:

PO13C46H85 (1)

Stoich.:

AB13C46D85 (1)

Weight, g/mol:

888.57278

ΔHf, kcal/mol:

-777.48

Dipole, Da:

5.13

IP(EA), eV:

 -9.49(-0.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[1-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxy-3-octadec-9-enoyloxypropan-2-yl] icosa-11,14-dienoate

Drug info:

PubChemData

Smile

CCCCCCCCCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC=CCCCCCCCC)COP(=O)(O)OC1C(C(C(C(C1O)O)O)O)O

DOS

IR

Vibrations