Geometry & MOs

Info

ID:	176388
PubChem CID:	76041464
Reduced:	NPO8C50H85 (1)
Stoich.:	ABC8D50E85 (1)
Weight, g/mol:	834.601281
ΔH_f, kcal/mol:	-408.09
Dipole, Da:	5.9
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752930
Charge, e:	1

Chem-info

IUPAC name:

2-[hydroxy-(2-icosa-5,8,11-trienoyloxy-3-icosa-8,11,14-trienoyloxypropoxy)phosphoryl]oxyethyl-trimethylazanium

Drug info:

PubChemData

Smile

CCCCCCCCC=CCC=CCC=CCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCC=CCC=CCC=CCC=CCC=CCC

DOS

IR

Vibrations