Geometry & MOs

Info

ID:	269990
PubChem CID:	103621788
Reduced:	BrClNS2O4H7C11 (1)
Stoich.:	ABCD2E4F7G11 (1)
Weight, g/mol:	344.989628
ΔH_f, kcal/mol:	-106.52
Dipole, Da:	6.23
IP(EA), eV:	-9.14(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-2-[(5-ethylthiophen-2-yl)sulfonylamino]benzoic acid

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)Cl)NS(=O)(=O)C2=C(C=CS2)Br)C(=O)O

DOS

IR

Vibrations