Geometry & MOs

Info

ID:	59316
PubChem CID:	24778953
Reduced:	NPO8C48H86 (1)
Stoich.:	ABC8D48E86 (1)
Weight, g/mol:	871.703006
ΔH_f, kcal/mol:	-477.72
Dipole, Da:	14.08
IP(EA), eV:	-8.74(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-3-[(Z)-octadec-9-enoyl]oxy-2-tetracosanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations