Geometry & MOs

Info

ID:	23290
PubChem CID:	603015
Reduced:	SO5C11H12 (1)
Stoich.:	AB5C11D12 (1)
Weight, g/mol:	256.040545
ΔH_f, kcal/mol:	-187.75
Dipole, Da:	3.24
IP(EA), eV:	-10.78(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-methylsulfonylphenyl)-4-oxobutanoic acid

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=CC=C(C=C1)C(=O)CCC(=O)O

DOS

IR

Vibrations