Geometry & MOs

Info

ID:

59314

PubChem CID:

24778945

Reduced:

NPO8C46H90 (1)

Stoich.:

ABC8D46E90 (1)

Weight, g/mol:

809.593456

ΔHf, kcal/mol:

-556.42

Dipole, Da:

14.94

IP(EA), eV:

 -9.52(-0.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2R)-2-[(5Z,8Z,11Z)-icosa-5,8,11-trienoyl]oxy-3-[(Z)-octadec-9-enoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C

DOS

IR

Vibrations