Geometry & MOs

Info

ID:	15381
PubChem CID:	440164
Reduced:	NPO7C26H53 (1)
Stoich.:	ABC7D26E53 (1)
Weight, g/mol:	522.355965
ΔH_f, kcal/mol:	-412.13
Dipole, Da:	7.49
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.753801
Charge, e:	1

Chem-info

IUPAC name:

2-[hydroxy-(2-hydroxy-3-octadec-9-enoyloxypropoxy)phosphoryl]oxyethyl-trimethylazanium

Drug info:

PubChemData

Smile

CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)O

DOS

IR

Vibrations