Geometry & MOs

Info

ID:

59315

PubChem CID:

24778947

Reduced:

NPO8C46H84 (1)

Stoich.:

ABC8D46E84 (1)

Weight, g/mol:

835.609106

ΔHf, kcal/mol:

-490.67

Dipole, Da:

11.46

IP(EA), eV:

 -9.34(-0.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-[(7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoyl]oxy-3-[(Z)-octadec-9-enoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations