Geometry & MOs

Info

ID:	271251
PubChem CID:	103650787
Reduced:	BrN2S2O3C9H13 (1)
Stoich.:	AB2C2D3E9F13 (1)
Weight, g/mol:	262.113984
ΔH_f, kcal/mol:	-95.65
Dipole, Da:	0.84
IP(EA), eV:	-9.77(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-benzothiophen-3-ylmethylamino)-3-methylbutanamide

Drug info:

PubChemData

Smile

CC(C)C(C(=O)N)NS(=O)(=O)C1=CC=C(S1)Br

DOS

IR

Vibrations