Geometry & MOs

Info

ID:	59313
PubChem CID:	24778942
Reduced:	NPO8C44H80 (1)
Stoich.:	ABC8D44E80 (1)
Weight, g/mol:	815.640406
ΔH_f, kcal/mol:	-477.28
Dipole, Da:	17.8
IP(EA), eV:	-8.96(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-2-icosanoyloxy-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)CCCCCCC/C=C\C/C=C\C/C=C\CC

DOS

IR

Vibrations