Geometry & MOs

Info

ID:	141752
PubChem CID:	52923399
Reduced:	NPO8C46H90 (1)
Stoich.:	ABC8D46E90 (1)
Weight, g/mol:	816.648231
ΔH_f, kcal/mol:	-419.49
Dipole, Da:	20.08
IP(EA), eV:	-8.95(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[[(2R)-3-henicosanoyloxy-2-[(Z)-heptadec-9-enoyl]oxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations