Geometry & MOs

Info

ID:	28307
PubChem CID:	826952
Reduced:	SO2N3H5C9 (1)
Stoich.:	AB2C3D5E9 (1)
Weight, g/mol:	236.976361
ΔH_f, kcal/mol:	-2.09
Dipole, Da:	4.54
IP(EA), eV:	-8.94(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-[1,2,4]triazino[3,4-b][1,3]benzothiazol-4-one

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N3C(=O)C(=O)NN=C3S2

DOS

IR

Vibrations