Geometry & MOs

Info

ID:	267440
PubChem CID:	103582228
Reduced:	BrClSN3H13C14 (1)
Stoich.:	ABCD3E13F14 (1)
Weight, g/mol:	334.98586
ΔH_f, kcal/mol:	69.76
Dipole, Da:	4.18
IP(EA), eV:	-8.83(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(5-bromo-3-chloropyridin-2-yl)-ethylamino]-2-methylpropanethioamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N(CCC(=S)N)C2=C(C=C(C=N2)Br)Cl

DOS

IR

Vibrations