Geometry & MOs

Info

ID:	250878
PubChem CID:	103099673
Reduced:	ClNS2O4C13H18 (1)
Stoich.:	ABC2D4E13F18 (1)
Weight, g/mol:	331.969227
ΔH_f, kcal/mol:	-164.23
Dipole, Da:	9.47
IP(EA), eV:	-9.79(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]pyridine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1CCCCC1(C(=O)O)NS(=O)(=O)C2=CC(=C(S2)Cl)C

DOS

IR

Vibrations