Geometry & MOs

Info

ID:	21468
PubChem CID:	588484
Reduced:	ClSN3H4C7 (1)
Stoich.:	ABC3D4E7 (1)
Weight, g/mol:	196.981446
ΔH_f, kcal/mol:	82.9
Dipole, Da:	4.79
IP(EA), eV:	-9.79(-1.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-chloro-1,2,3-benzotriazine-4-thiol

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1Cl)N=NN=C2S

DOS

IR

Vibrations