Geometry & MOs

Info

ID:	250898
PubChem CID:	103099804
Reduced:	NCl2S2O4H9C12 (1)
Stoich.:	AB2C2D4E9F12 (1)
Weight, g/mol:	339.000193
ΔH_f, kcal/mol:	-118.56
Dipole, Da:	6.87
IP(EA), eV:	-9.8(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]oxane-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(SC(=C1)S(=O)(=O)NC2=CC(=CC(=C2)C(=O)O)Cl)Cl

DOS

IR

Vibrations