Geometry & MOs

Info

ID:	141734
PubChem CID:	52922310
Reduced:	NPO8C40H76 (1)
Stoich.:	ABC8D40E76 (1)
Weight, g/mol:	757.562156
ΔH_f, kcal/mol:	-502.83
Dipole, Da:	15.9
IP(EA), eV:	-8.27(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-2-[(Z)-nonadec-9-enoyl]oxy-3-[(Z)-pentadec-9-enoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\C/C=C\CCCC

DOS

IR

Vibrations