Geometry & MOs

Info

ID:	373239
PubChem CID:	131312089
Reduced:	BrClO2C10H10 (1)
Stoich.:	ABC2D10E10 (1)
Weight, g/mol:	285.94116
ΔH_f, kcal/mol:	-76.06
Dipole, Da:	4.88
IP(EA), eV:	-9.76(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-bromo-[1,2]thiazolo[5,4-b]pyridine-3-carboxylate

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C(=O)CCBr)CCl)O

DOS

IR

Vibrations