Geometry & MOs

Info

ID:	250088
PubChem CID:	103094039
Reduced:	ClSN2O4H9C12 (1)
Stoich.:	ABC2D4E9F12 (1)
Weight, g/mol:	319.039355
ΔH_f, kcal/mol:	-99.87
Dipole, Da:	1.79
IP(EA), eV:	-9.69(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3-chloropyridin-2-yl)sulfamoyl]piperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC(=C(N=C1)NS(=O)(=O)C2=CC=C(C=C2)C(=O)O)Cl

DOS

IR

Vibrations