Geometry & MOs

Info

ID:	147903
PubChem CID:	53787562
Reduced:	ClN2O6C22H29 (1)
Stoich.:	AB2C6D22E29 (1)
Weight, g/mol:	786.601281
ΔH_f, kcal/mol:	-232.08
Dipole, Da:	3.97
IP(EA), eV:	-9.18(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[hydroxy-[(2R)-3-octadeca-9,12-dienoyloxy-2-octadecanoyloxypropoxy]phosphoryl]oxyethyl-trimethylazanium

Drug info:

PubChemData

Smile

CCOC(=O)COC(=O)C1=C(N=C(CC1C2=CC=CC=C2Cl)C)COCCOCCN

DOS

IR

Vibrations