Geometry & MOs

Info

ID:	54492
PubChem CID:	17388770
Reduced:	NaSC3O6H7 (1)
Stoich.:	ABC3D6E7 (1)
Weight, g/mol:	508.21619
ΔH_f, kcal/mol:	-303.87
Dipole, Da:	7.96
IP(EA), eV:	-9.87(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(1-methylazepan-1-ium-1-yl)-3-(2-oxopyrrolidin-1-yl)propan-2-yl] octanoate;iodide

Drug info:

PubChemData

Smile

C(C(CO)(O)S(=O)(=O)[O-])O.[Na+]

DOS

IR

Vibrations