Geometry & MOs

Info

ID:	218597
PubChem CID:	85089664
Reduced:	PSN2O5C22H47 (1)
Stoich.:	ABC2D5E22F47 (1)
Weight, g/mol:	483.302156
ΔH_f, kcal/mol:	-340.78
Dipole, Da:	13.1
IP(EA), eV:	-8.22(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[[3-hexylsulfanyl-2-(octanoylamino)propoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium

Drug info:

PubChemData

Smile

CCCCCCCC(=O)NC(COP(=O)([O-])OCC[N+](C)(C)C)CSCCCCCC

DOS

IR

Vibrations