Geometry & MOs

Info

ID:	267672
PubChem CID:	103583785
Reduced:	BrClNO2C10H13 (1)
Stoich.:	ABCD2E10F13 (1)
Weight, g/mol:	334.89533
ΔH_f, kcal/mol:	-69.31
Dipole, Da:	2.04
IP(EA), eV:	-9.27(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOCC(C)OC1=C(C=C(C=N1)Br)Cl

DOS

IR

Vibrations