Geometry & MOs

Info

ID:

145209

PubChem CID:

53479028

Reduced:

NPO7C46H87 (1)

Stoich.:

ABC7D46E87 (1)

Weight, g/mol:

793.598541

ΔHf, kcal/mol:

-296.35

Dipole, Da:

4.84

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 2.770259

Charge, e:

 0

Chem-info

IUPAC name:

[3-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyl]oxy-2-[(1Z,11Z)-octadeca-1,11-dienoxy]propyl] 2-(trimethylazaniumyl)ethyl phosphate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCC/C=C\OC(COC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC)COP(=O)(O)OCC[N+](C)(C)C

DOS

IR

Vibrations