Geometry & MOs

Info

ID:	312806
PubChem CID:	126608842
Reduced:	SO3N4C21H26 (1)
Stoich.:	AB3C4D21E26 (1)
Weight, g/mol:	304.97213
ΔH_f, kcal/mol:	-71.36
Dipole, Da:	7.27
IP(EA), eV:	-8.44(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-5-ethoxy-2-methyl-3H-1,2-benzothiazole 1,1-dioxide

Drug info:

PubChemData

Smile

CC1=CC(=CN(C1=O)C)C2=CC(=C3C(=C2)N(C(=N3)C)CC4(CC4)C)NS(=O)(=O)C

DOS

IR

Vibrations