Geometry & MOs

Info

ID:

1879

PubChem CID:

5261

Reduced:

PN2O6C41H84 (1)

Stoich.:

AB2C6D41E84 (1)

Weight, g/mol:

731.6067

ΔHf, kcal/mol:

-386.94

Dipole, Da:

11.69

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.763261

Charge, e:

 1

Chem-info

IUPAC name:

2-[hydroxy-[3-hydroxy-2-(octadecanoylamino)octadec-4-enoxy]phosphoryl]oxyethyl-trimethylazanium

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCC(=O)NC(COP(=O)(O)OCC[N+](C)(C)C)C(C=CCCCCCCCCCCCCC)O

DOS

IR

Vibrations