Geometry & MOs

Info

ID:

59310

PubChem CID:

24778935

Reduced:

NPO8C42H80 (1)

Stoich.:

ABC8D42E80 (1)

Weight, g/mol:

783.577806

ΔHf, kcal/mol:

-513.89

Dipole, Da:

14.62

IP(EA), eV:

 -9.09(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2R)-2-[(9Z,12Z)-octadeca-9,12-dienoyl]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)CCCCCCC/C=C\CCCCCC

DOS

IR

Vibrations