Geometry & MOs

Info

ID:	14210
PubChem CID:	406644
Reduced:	ClO2S2N4H7C15 (1)
Stoich.:	AB2C2D4E7F15 (1)
Weight, g/mol:	373.969896
ΔH_f, kcal/mol:	70.59
Dipole, Da:	1.65
IP(EA), eV:	-9.58(-2.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-chloro-5,5-dioxo-3-phenyl-[1,2,4]triazolo[4,3-b][1,4,2]benzodithiazine-7-carbonitrile

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NN=C3N2S(=O)(=O)C4=C(S3)C=C(C(=C4)C#N)Cl

DOS

IR

Vibrations