Geometry & MOs

Info

ID:	250092
PubChem CID:	103094052
Reduced:	ClSN2O5H11C12 (1)
Stoich.:	ABC2D5E11F12 (1)
Weight, g/mol:	329.987734
ΔH_f, kcal/mol:	-170.96
Dipole, Da:	7.47
IP(EA), eV:	-9.46(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3-chloropyridin-2-yl)sulfamoyl]-3-fluorobenzoic acid

Drug info:

PubChemData

Smile

CC1=C(C(=C(O1)C)S(=O)(=O)NC2=C(C=CC=N2)Cl)C(=O)O

DOS

IR

Vibrations