Geometry & MOs

Info

ID:	1775
PubChem CID:	5031
Reduced:	PN2O6C27H58 (1)
Stoich.:	AB2C6D27E58 (1)
Weight, g/mol:	537.40325
ΔH_f, kcal/mol:	-386.93
Dipole, Da:	12.64
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754725
Charge, e:	1

Chem-info

IUPAC name:

2-[hydroxy-[2-methoxy-3-(octadecanoylamino)propoxy]phosphoryl]oxyethyl-trimethylazanium

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations