Geometry & MOs

Info

ID:

141735

PubChem CID:

52922380

Reduced:

NPO8C42H80 (1)

Stoich.:

ABC8D42E80 (1)

Weight, g/mol:

758.569981

ΔHf, kcal/mol:

-513.16

Dipole, Da:

16.02

IP(EA), eV:

 -9.66(-0.15)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

2-[hydroxy-[(2R)-2-[(Z)-nonadec-9-enoyl]oxy-3-[(Z)-pentadec-9-enoyl]oxypropoxy]phosphoryl]oxyethyl-trimethylazanium

Drug info:

PubChemData

Smile

CCCCCCCCC/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCCC)COP(=O)([O-])OCC[N+](C)(C)C

DOS

IR

Vibrations