Geometry & MOs

Info

ID:	222252
PubChem CID:	85295678
Reduced:	NOC8H9 (2)
Stoich.:	ABC8D9 (2)
Weight, g/mol:	270.09258
ΔH_f, kcal/mol:	-36.51
Dipole, Da:	1.54
IP(EA), eV:	-8.34(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(benzenesulfonylmethyl)hexanoic acid

Drug info:

PubChemData

Smile

COC(=O)C1=CCCNCCC2=C1NC3=CC=CC=C23

DOS

IR

Vibrations