Geometry & MOs

Info

ID:	141746
PubChem CID:	52923211
Reduced:	NPO8C41H76 (1)
Stoich.:	ABC8D41E76 (1)
Weight, g/mol:	804.648231
ΔH_f, kcal/mol:	-475.21
Dipole, Da:	12.88
IP(EA), eV:	-9.34(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[[(2R)-3-henicosanoyloxy-2-hexadecanoyloxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium

Drug info:

PubChemData

Smile

CCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC)COP(=O)([O-])OCC[N+](C)(C)C

DOS

IR

Vibrations