Geometry & MOs

Info

ID:	14212
PubChem CID:	406650
Reduced:	Cl2O2S2N3H9C15 (1)
Stoich.:	A2B2C2D3E9F15 (1)
Weight, g/mol:	396.951324
ΔH_f, kcal/mol:	15.2
Dipole, Da:	6.89
IP(EA), eV:	-9.36(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-chloro-3-(3-chlorophenyl)-7-methyl-[1,2,4]triazolo[4,3-b][1,4,2]benzodithiazine 5,5-dioxide

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1Cl)SC3=NN=C(N3S2(=O)=O)C4=CC(=CC=C4)Cl

DOS

IR

Vibrations