Geometry & MOs

Info

ID:	271250
PubChem CID:	103650786
Reduced:	SN3O3C12H15 (1)
Stoich.:	AB3C3D12E15 (1)
Weight, g/mol:	339.9551
ΔH_f, kcal/mol:	-78.86
Dipole, Da:	2.5
IP(EA), eV:	-10.22(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-bromothiophen-2-yl)sulfonylamino]-3-methylbutanamide

Drug info:

PubChemData

Smile

CC(C)C(C(=O)N)NS(=O)(=O)C1=CC=C(C=C1)C#N

DOS

IR

Vibrations