Geometry & MOs

Info

ID:	10314
PubChem CID:	100205
Reduced:	SN2O5C9H20 (1)
Stoich.:	AB2C5D9E20 (1)
Weight, g/mol:	268.109293
ΔH_f, kcal/mol:	-222.98
Dipole, Da:	4.79
IP(EA), eV:	-8.88(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propane-1-sulfonic acid

Drug info:

PubChemData

Smile

C1CN(CCN1CCO)CC(CS(=O)(=O)O)O

DOS

IR

Vibrations