Geometry & MOs

Info

ID:	56949
PubChem CID:	22395024
Reduced:	NaSO7C11H20 (1)
Stoich.:	ABC7D11E20 (1)
Weight, g/mol:	296.092974
ΔH_f, kcal/mol:	-301.99
Dipole, Da:	2.68
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.750000
Charge, e:	0

Chem-info

IUPAC name:

4-methoxy-2-methyl-1,4-dioxo-1-pentoxybutane-2-sulfonic acid

Drug info:

PubChemData

Smile

CCCCCOC(=O)C(C)(CC(=O)OC)S(=O)(=O)O.[Na+]

DOS

IR

Vibrations