Geometry & MOs

Info

ID:	175828
PubChem CID:	75955313
Reduced:	NPO8C40H70 (1)
Stoich.:	ABC8D40E70 (1)
Weight, g/mol:	827.640406
ΔH_f, kcal/mol:	-443.07
Dipole, Da:	12.1
IP(EA), eV:	-9.42(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-icosa-11,14-dienoyloxy-2-nonadecanoyloxypropyl) 2-(trimethylazaniumyl)ethyl phosphate

Drug info:

PubChemData

Smile

CCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCC=CCC=CCC=CCC=CCC=CCC

DOS

IR

Vibrations