Geometry & MOs

Info

ID:	281419
PubChem CID:	103913847
Reduced:	BrNO2S2C11H16 (1)
Stoich.:	ABC2D2E11F16 (1)
Weight, g/mol:	338.99623
ΔH_f, kcal/mol:	-63.81
Dipole, Da:	6.24
IP(EA), eV:	-9.44(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(5-bromothiophen-2-yl)ethyl]-1-ethylsulfonylpropan-2-amine

Drug info:

PubChemData

Smile

C1CC(CS(=O)(=O)C1)NCCC2=CC=C(S2)Br

DOS

IR

Vibrations