Geometry & MOs

Info

ID:	323311
PubChem CID:	126674099
Reduced:	S2C7H10O10 (2)
Stoich.:	A2B7C10D10 (2)
Weight, g/mol:	300.120903
ΔH_f, kcal/mol:	-797.25
Dipole, Da:	5.73
IP(EA), eV:	-9.29(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2,3-dihydroxypropoxy)-2-(4-hydroxybutoxy)benzoic acid

Drug info:

PubChemData

Smile

COC(=O)C1=C(C=CC(=C1)OCC(COS(=O)(=O)O)OS(=O)(=O)O)OCC(COS(=O)(=O)O)OS(=O)(=O)O

DOS

IR

Vibrations