Geometry & MOs

Info

ID:	250896
PubChem CID:	103099780
Reduced:	ClNS2O4C10H12 (1)
Stoich.:	ABC2D4E10F12 (1)
Weight, g/mol:	311.005278
ΔH_f, kcal/mol:	-126.45
Dipole, Da:	8.53
IP(EA), eV:	-9.84(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(SC(=C1)S(=O)(=O)N(CC=C)CC(=O)O)Cl

DOS

IR

Vibrations