Geometry & MOs

Info

ID:

141740

PubChem CID:

52923049

Reduced:

NPO8C49H88 (1)

Stoich.:

ABC8D49E88 (1)

Weight, g/mol:

810.601281

ΔHf, kcal/mol:

-489.24

Dipole, Da:

13.01

IP(EA), eV:

-8.71(-0.06)

Spin(Sz, S2):

None, None

Charge, e:

1

Chem-info

IUPAC name:

2-[hydroxy-[(2R)-3-[(Z)-icos-11-enoyl]oxy-2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxypropoxy]phosphoryl]oxyethyl-trimethylazanium

Drug info:

PubChemData

Smile

CCCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC

DOS

IR

Vibrations