Geometry & MOs

Info

ID:	10701
PubChem CID:	106933
Reduced:	SC5O5H9 (2)
Stoich.:	AB5C5D9 (2)
Weight, g/mol:	362.034139
ΔH_f, kcal/mol:	-387.41
Dipole, Da:	3.9
IP(EA), eV:	-10.43(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxy-3-[4-(2-hydroxy-3-sulfopropoxy)but-2-ynoxy]propane-1-sulfonic acid

Drug info:

PubChemData

Smile

C(C#CCOCC(CS(=O)(=O)O)O)OCC(CS(=O)(=O)O)O

DOS

IR

Vibrations