Geometry & MOs

Info

ID:	213929
PubChem CID:	81065560
Reduced:	NSCl3O4C11H12 (1)
Stoich.:	ABC3D4E11F12 (1)
Weight, g/mol:	340.93911
ΔH_f, kcal/mol:	-167.7
Dipole, Da:	6.02
IP(EA), eV:	-10.16(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3-bromothiophen-2-yl)sulfonylamino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC(CC(=O)O)CNS(=O)(=O)C1=C(C=C(C=C1Cl)Cl)Cl

DOS

IR

Vibrations