Geometry & MOs

Info

ID:	141750
PubChem CID:	52923397
Reduced:	NPO8C46H92 (1)
Stoich.:	ABC8D46E92 (1)
Weight, g/mol:	818.663881
ΔH_f, kcal/mol:	-589.15
Dipole, Da:	12.54
IP(EA), eV:	-9.58(0.16)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCC

DOS

IR

Vibrations