Geometry & MOs

Info

ID:	225401
PubChem CID:	85756693
Reduced:	SO4C12H16 (1)
Stoich.:	AB4C12D16 (1)
Weight, g/mol:	284.10823
ΔH_f, kcal/mol:	-168.04
Dipole, Da:	12.07
IP(EA), eV:	-10.24(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(benzenesulfonylmethyl)heptanoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations