Geometry & MOs

Info

ID:	59320
PubChem CID:	24778969
Reduced:	NPO8C44H80 (1)
Stoich.:	ABC8D44E80 (1)
Weight, g/mol:	757.562156
ΔH_f, kcal/mol:	-462.11
Dipole, Da:	8.91
IP(EA), eV:	-8.92(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-2-hexadecanoyloxy-3-[(9Z,12Z)-octadeca-9,12-dienoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations