Geometry & MOs

Info

ID:	250883
PubChem CID:	103099699
Reduced:	ClNS2O4C10H12 (1)
Stoich.:	ABC2D4E10F12 (1)
Weight, g/mol:	337.020928
ΔH_f, kcal/mol:	-143.92
Dipole, Da:	8.85
IP(EA), eV:	-9.86(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]cyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(SC(=C1)S(=O)(=O)N2CCC[C@@H]2C(=O)O)Cl

DOS

IR

Vibrations