Geometry & MOs

Info

ID:	217779
PubChem CID:	85088377
Reduced:	PSN2O5C16H35 (1)
Stoich.:	ABC2D5E16F35 (1)
Weight, g/mol:	399.208255
ΔH_f, kcal/mol:	-317.5
Dipole, Da:	11.72
IP(EA), eV:	-8.4(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[(2-acetamido-3-hexylsulfanylpropoxy)-hydroxyphosphoryl]oxyethyl-trimethylazanium

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations