Geometry & MOs

Info

ID:	338186
PubChem CID:	127258878
Reduced:	NaN2S2C12O12H28 (1)
Stoich.:	AB2C2D12E12F28 (1)
Weight, g/mol:	497.171576
ΔH_f, kcal/mol:	-571.1
Dipole, Da:	10.83
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.764868
Charge, e:	-1

Chem-info

IUPAC name:

sodium;2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfonate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations