Geometry & MOs

Info

ID:	227439
PubChem CID:	87561756
Reduced:	SO5C11H14 (1)
Stoich.:	AB5C11D14 (1)
Weight, g/mol:	258.056195
ΔH_f, kcal/mol:	-176.79
Dipole, Da:	3.9
IP(EA), eV:	-9.23(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-2-oxo-3-phenoxybutane-1-sulfonic acid

Drug info:

PubChemData

Smile

CC(C(=O)COC1=CC=CC=C1)S(=O)(=O)OC

DOS

IR

Vibrations