Geometry & MOs

Info

ID:

59323

PubChem CID:

24778980

Reduced:

NPO8C46H80 (1)

Stoich.:

ABC8D46E80 (1)

Weight, g/mol:

803.546505

ΔHf, kcal/mol:

-448.11

Dipole, Da:

14.45

IP(EA), eV:

 -9.39(0.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]oxy-3-[(9Z,12Z)-octadeca-9,12-dienoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations