Geometry & MOs

Info

ID:	284051
PubChem CID:	104029919
Reduced:	BrON5C12H14 (1)
Stoich.:	ABC5D12E14 (1)
Weight, g/mol:	363.0041
ΔH_f, kcal/mol:	41.27
Dipole, Da:	6.03
IP(EA), eV:	-8.87(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-bromo-3-methylpyridin-2-yl)-6-ethoxy-1,3-benzothiazol-2-amine

Drug info:

PubChemData

Smile

C1CC(COC1)N2C(=NN=N2)C3=C(C(=CC=C3)N)Br

DOS

IR

Vibrations