Geometry & MOs

Info

ID:

145214

PubChem CID:

53479168

Reduced:

NPO8C44H85 (1)

Stoich.:

ABC8D44E85 (1)

Weight, g/mol:

868.679531

ΔHf, kcal/mol:

-464.91

Dipole, Da:

13.78

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.908039

Charge, e:

 1

Chem-info

IUPAC name:

2-[hydroxy-[(2R)-2-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyl]oxy-3-tetracosanoyloxypropoxy]phosphoryl]oxyethyl-trimethylazanium

Drug info:

PubChemData

Smile

CCCCCCCC/C=C\CCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\CCCC

DOS

IR

Vibrations