Geometry & MOs

Info

ID:

175859

PubChem CID:

75961030

Reduced:

PO13C45H85 (1)

Stoich.:

AB13C45D85 (1)

Weight, g/mol:

970.65103

ΔHf, kcal/mol:

-801.24

Dipole, Da:

6.35

IP(EA), eV:

 -9.51(-0.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[1-docosa-7,10,13,16-tetraenoyloxy-3-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxypropan-2-yl] docosanoate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCC=CCCCCCCCCCC)COP(=O)(O)OC1C(C(C(C(C1O)O)O)O)O

DOS

IR

Vibrations