Geometry & MOs

Info

ID:	250866
PubChem CID:	103099619
Reduced:	ClNS3O4C9H10 (1)
Stoich.:	ABC3D4E9F10 (1)
Weight, g/mol:	351.036578
ΔH_f, kcal/mol:	-134.31
Dipole, Da:	4.63
IP(EA), eV:	-9.16(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(SC(=C1)S(=O)(=O)N2CSCC2C(=O)O)Cl

DOS

IR

Vibrations