Geometry & MOs

Info

ID:	141732
PubChem CID:	52922308
Reduced:	NPO8C40H78 (1)
Stoich.:	ABC8D40E78 (1)
Weight, g/mol:	732.554331
ΔH_f, kcal/mol:	-532.04
Dipole, Da:	14.03
IP(EA), eV:	-8.94(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[[(2R)-2-[(Z)-heptadec-9-enoyl]oxy-3-pentadecanoyloxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations