Geometry & MOs

Info

ID:	288018
PubChem CID:	104307685
Reduced:	ClNBr2O2S2H12C13 (1)
Stoich.:	ABC2D2E2F12G13 (1)
Weight, g/mol:	242.064447
ΔH_f, kcal/mol:	-27.36
Dipole, Da:	4.25
IP(EA), eV:	-9.69(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-3-[methyl(1-thiophen-2-ylpropan-2-yl)amino]propanenitrile

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)NS(=O)(=O)C2=CC(=C(S2)Br)Cl)CCCBr

DOS

IR

Vibrations