Geometry & MOs

Info

ID:	341706
PubChem CID:	127264399
Reduced:	FN2Cl3C6H8 (1)
Stoich.:	AB2C3D6E8 (1)
Weight, g/mol:	283.0667
ΔH_f, kcal/mol:	-83.4
Dipole, Da:	1.02
IP(EA), eV:	-9.36(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-3-[(E)-2-phenylethenyl]-1,2-benzothiazole 1,1-dioxide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Cl)NN)F.Cl.Cl

DOS

IR

Vibrations