Geometry & MOs

Info

ID:

141744

PubChem CID:

52923193

Reduced:

NPO8C48H86 (1)

Stoich.:

ABC8D48E86 (1)

Weight, g/mol:

836.616931

ΔHf, kcal/mol:

-406.38

Dipole, Da:

14.45

IP(EA), eV:

 -8.87(-0.28)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

2-[hydroxy-[(2R)-3-[(11Z,14Z)-icosa-11,14-dienoyl]oxy-2-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyl]oxypropoxy]phosphoryl]oxyethyl-trimethylazanium

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations