Geometry & MOs

Info

ID:	372002
PubChem CID:	131285778
Reduced:	BrSO2C12H15 (1)
Stoich.:	ABC2D12E15 (1)
Weight, g/mol:	246.90511
ΔH_f, kcal/mol:	-81.35
Dipole, Da:	1.01
IP(EA), eV:	-8.56(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-2-nitroimidazo[2,1-b][1,3]thiazole

Drug info:

PubChemData

Smile

COC(=O)CCC1=CC(=CC(=C1)SC)CBr

DOS

IR

Vibrations