Geometry & MOs

Info

ID:	9504
PubChem CID:	90340
Reduced:	NaSO9C12H13 (1)
Stoich.:	ABC9D12E13 (1)
Weight, g/mol:	356.017797
ΔH_f, kcal/mol:	-400.72
Dipole, Da:	8.49
IP(EA), eV:	-10.58(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

sodium;3,5-bis(2-hydroxyethoxycarbonyl)benzenesulfonate

Drug info:

PubChemData

Smile

C1=C(C=C(C=C1C(=O)OCCO)S(=O)(=O)[O-])C(=O)OCCO.[Na+]

DOS

IR

Vibrations