Geometry & MOs

Info

ID:	14211
PubChem CID:	406648
Reduced:	ClO2S2N3H10C15 (1)
Stoich.:	AB2C2D3E10F15 (1)
Weight, g/mol:	362.990297
ΔH_f, kcal/mol:	24.23
Dipole, Da:	6.53
IP(EA), eV:	-9.25(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-chloro-7-methyl-3-phenyl-[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

DOS

IR

Vibrations