Geometry & MOs

Info

ID:	267443
PubChem CID:	103582241
Reduced:	BrClSN4C12H16 (1)
Stoich.:	ABCD4E12F16 (1)
Weight, g/mol:	376.01241
ΔH_f, kcal/mol:	41.9
Dipole, Da:	4.03
IP(EA), eV:	-8.6(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(5-bromo-3-chloropyridin-2-yl)piperazin-1-yl]-2-methylpropanethioamide

Drug info:

PubChemData

Smile

CC(C(=S)N)N1CCN(CC1)C2=C(C=C(C=N2)Br)Cl

DOS

IR

Vibrations