Geometry & MOs

Info

ID:	29279
PubChem CID:	832772
Reduced:	ClN2O3H9C13 (1)
Stoich.:	AB2C3D9E13 (1)
Weight, g/mol:	193.056135
ΔH_f, kcal/mol:	-0.63
Dipole, Da:	9.6
IP(EA), eV:	-9.41(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-ethoxy-2-methyl-1,3-benzothiazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2)Cl)[N+](=O)[O-]

DOS

IR

Vibrations