Geometry & MOs

Info

ID:	250876
PubChem CID:	103099670
Reduced:	ClNS2O4C9H12 (1)
Stoich.:	ABC2D4E9F12 (1)
Weight, g/mol:	351.036578
ΔH_f, kcal/mol:	-154.06
Dipole, Da:	5.37
IP(EA), eV:	-9.83(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(SC(=C1)S(=O)(=O)NC(C)(C)C(=O)O)Cl

DOS

IR

Vibrations