Geometry & MOs

Info

ID:

59312

PubChem CID:

24778940

Reduced:

NPO8C44H80 (1)

Stoich.:

ABC8D44E80 (1)

Weight, g/mol:

781.562156

ΔHf, kcal/mol:

-456.01

Dipole, Da:

9.81

IP(EA), eV:

 -9.22(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxy-3-[(Z)-octadec-9-enoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate

Drug info:

PubChemData

Smile

CCCCCCCC/C=C\CCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC

DOS

IR

Vibrations