Geometry & MOs

Info

ID:	376532
PubChem CID:	134222550
Reduced:	SO7C8H12 (1)
Stoich.:	AB7C8D12 (1)
Weight, g/mol:	322.108624
ΔH_f, kcal/mol:	-312.69
Dipole, Da:	6.79
IP(EA), eV:	-11.09(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-hydroxycyclohexyl)oxy-5-sulfocyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

C1CC(C(C(C1)S(=O)(=O)O)C(=O)O)C(=O)O

DOS

IR

Vibrations