Geometry & MOs

Info

ID:	57141
PubChem CID:	22395389
Reduced:	O2C5H7 (2)
Stoich.:	A2B5C7 (2)
Weight, g/mol:	247.061614
ΔH_f, kcal/mol:	-175.65
Dipole, Da:	6.19
IP(EA), eV:	-10.7(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

sodium;2-(3,4-dihydroxycyclohexyl)ethanesulfonic acid

Drug info:

PubChemData

Smile

C=CC1CCC(C(C1)C(=O)O)C(=O)O

DOS

IR

Vibrations