Geometry & MOs

Info

ID:	376531
PubChem CID:	134222549
Reduced:	SO5C7H11 (2)
Stoich.:	AB5C7D11 (2)
Weight, g/mol:	252.030374
ΔH_f, kcal/mol:	-446.77
Dipole, Da:	9.55
IP(EA), eV:	-10.86(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-sulfocyclohexane-1,2-dicarboxylic acid

Drug info:

PubChemData

Smile

C1CC(C(CC1C(=O)O)C2CC(CC(C2)S(=O)(=O)O)OC=O)S(=O)(=O)O

DOS

IR

Vibrations