Geometry & MOs

Info

ID:	376537
PubChem CID:	134222555
Reduced:	SO6C8H13 (2)
Stoich.:	AB6C8D13 (2)
Weight, g/mol:	252.030374
ΔH_f, kcal/mol:	-533.34
Dipole, Da:	7.01
IP(EA), eV:	-10.25(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-sulfocyclohexane-1,3-dicarboxylic acid

Drug info:

PubChemData

Smile

C1CC(C(CC1OCCOC2CCC(C(C2)S(=O)(=O)O)OC=O)S(=O)(=O)O)C(=O)O

DOS

IR

Vibrations