Geometry & MOs

Info

ID:	327821
PubChem CID:	126691114
Reduced:	S2C7H10O10 (2)
Stoich.:	A2B7C10D10 (2)
Weight, g/mol:	525.975698
ΔH_f, kcal/mol:	-794.41
Dipole, Da:	2.73
IP(EA), eV:	-9.64(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2S)-2,3-disulfooxypropoxy]-5-(3-sulfooxypropoxy)benzoic acid

Drug info:

PubChemData

Smile

COC(=O)C1=C(C=CC(=C1)OC[C@@H](COS(=O)(=O)O)OS(=O)(=O)O)OC[C@H](COS(=O)(=O)O)OS(=O)(=O)O

DOS

IR

Vibrations