Geometry & MOs

Info

ID:	267673
PubChem CID:	103583885
Reduced:	BrClS2N3H7C9 (1)
Stoich.:	ABC2D3E7F9 (1)
Weight, g/mol:	320.87968
ΔH_f, kcal/mol:	69.68
Dipole, Da:	4.73
IP(EA), eV:	-8.86(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(5-bromo-3-chloropyridin-2-yl)sulfanyl-3-methyl-1,2,4-thiadiazole

Drug info:

PubChemData

Smile

CCC1=NSC(=N1)SC2=C(C=C(C=N2)Br)Cl

DOS

IR

Vibrations