Geometry & MOs

Info

ID:

176391

PubChem CID:

76042743

Reduced:

P3O19C45H83 (1)

Stoich.:

A3B19C45D83 (1)

Weight, g/mol:

1018.458491

ΔHf, kcal/mol:

-1153.55

Dipole, Da:

4.03

IP(EA), eV:

 -9.45(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[1-[hydroxy-(2,3,6-trihydroxy-4,5-diphosphonooxycyclohexyl)oxyphosphoryl]oxy-3-octadeca-9,12,15-trienoyloxypropan-2-yl] octadec-11-enoate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCC=CCC=CCC=CCC)COP(=O)(O)OC1C(C(C(C(C1O)OP(=O)(O)O)OP(=O)(O)O)O)O

DOS

IR

Vibrations