Geometry & MOs

Info

ID:	214049
PubChem CID:	81065922
Reduced:	ClNSO4C13H18 (1)
Stoich.:	ABCD4E13F18 (1)
Weight, g/mol:	285.103479
ΔH_f, kcal/mol:	-175.77
Dipole, Da:	8.16
IP(EA), eV:	-10.09(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(4-methylphenyl)sulfonylamino]methyl]pentanoic acid

Drug info:

PubChemData

Smile

CCC(CC(=O)O)CNS(=O)(=O)C1=C(C=C(C=C1)Cl)C

DOS

IR

Vibrations