Geometry & MOs

Info

ID:

176387

PubChem CID:

76041463

Reduced:

NPO8C50H84 (1)

Stoich.:

ABC8D50E84 (1)

Weight, g/mol:

858.601281

ΔHf, kcal/mol:

-432.22

Dipole, Da:

10.73

IP(EA), eV:

 -9.03(0.19)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

2-[(2-docosa-7,10,13,16,19-pentaenoyloxy-3-icosa-5,8,11-trienoyloxypropoxy)-hydroxyphosphoryl]oxyethyl-trimethylazanium

Drug info:

PubChemData

Smile

CCCCCCCCC=CCC=CCC=CCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCC=CCC=CCC=CCC=CCC=CCC

DOS

IR

Vibrations