Geometry & MOs

Info

ID:	373399
PubChem CID:	131314660
Reduced:	BrNOH6C8 (1)
Stoich.:	ABCD6E8 (1)
Weight, g/mol:	212.025563
ΔH_f, kcal/mol:	35.14
Dipole, Da:	4.11
IP(EA), eV:	-9.39(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-hydroxyimidazo[2,1-b][1,3]thiazole-5-carboxylate

Drug info:

PubChemData

Smile

C1CC2=C(C1C#N)OC(=C2)Br

DOS

IR

Vibrations