Geometry & MOs

Info

ID:	17419
PubChem CID:	497300
Reduced:	NPO7C26H55 (1)
Stoich.:	ABC7D26E55 (1)
Weight, g/mol:	524.371615
ΔH_f, kcal/mol:	-437.87
Dipole, Da:	6.37
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752177
Charge, e:	1

Chem-info

IUPAC name:

2-[hydroxy-[(2R)-2-hydroxy-3-octadecanoyloxypropoxy]phosphoryl]oxyethyl-trimethylazanium

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)O

DOS

IR

Vibrations