Geometry & MOs

Info

ID:	28645
PubChem CID:	828748
Reduced:	SO3N4C8H10 (1)
Stoich.:	AB3C4D8E10 (1)
Weight, g/mol:	341.047027
ΔH_f, kcal/mol:	-40.41
Dipole, Da:	4.59
IP(EA), eV:	-9.06(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-2-methylisoindole-1,3-dione

Drug info:

PubChemData

Smile

CCS(=O)(=O)N1C(=NC(=N1)C2=CC=CO2)N

DOS

IR

Vibrations