Geometry & MOs

Info

ID:	542
PubChem CID:	2962
Reduced:	NPO7C46H83 (1)
Stoich.:	ABC7D46E83 (1)
Weight, g/mol:	792.590716
ΔH_f, kcal/mol:	-392.32
Dipole, Da:	4.11
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754447
Charge, e:	1

Chem-info

IUPAC name:

2-[(2-docosa-4,7,10,13,16,19-hexaenoyloxy-3-hexadecoxypropoxy)-hydroxyphosphoryl]oxyethyl-trimethylazanium

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCOCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCC=CCC=CCC=CCC=CCC=CCC=CCC

DOS

IR

Vibrations