Geometry & MOs

Info

ID:	59299
PubChem CID:	24778824
Reduced:	NPO8C44H86 (1)
Stoich.:	ABC8D44E86 (1)
Weight, g/mol:	785.593456
ΔH_f, kcal/mol:	-546.94
Dipole, Da:	17.73
IP(EA), eV:	-9.31(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-2-[(6Z,9Z)-octadeca-6,9-dienoyl]oxy-3-octadecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C/CCCCCCCC

DOS

IR

Vibrations