Geometry & MOs

Info

ID:	11620
PubChem CID:	118222
Reduced:	SO6C7H12 (1)
Stoich.:	AB6C7D12 (1)
Weight, g/mol:	224.035459
ΔH_f, kcal/mol:	-211.18
Dipole, Da:	2.55
IP(EA), eV:	-10.53(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxy-3-(4-hydroxybut-2-ynoxy)propane-1-sulfonic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations