Geometry & MOs

Info

ID:

145210

PubChem CID:

53479029

Reduced:

NPO7C46H84 (1)

Stoich.:

ABC7D46E84 (1)

Weight, g/mol:

789.567241

ΔHf, kcal/mol:

-416.35

Dipole, Da:

13.99

IP(EA), eV:

 -9.06(-0.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]oxy-2-[(1Z,9Z)-octadeca-1,9-dienoxy]propyl] 2-(trimethylazaniumyl)ethyl phosphate

Drug info:

PubChemData

Smile

CCCCCC/C=C\CCCCCCCC/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