Geometry & MOs

Info

ID:	56819
PubChem CID:	22394174
Reduced:	SF2N3O4H17C22 (1)
Stoich.:	AB2C3D4E17F22 (1)
Weight, g/mol:	288.999799
ΔH_f, kcal/mol:	-141.8
Dipole, Da:	7.81
IP(EA), eV:	-8.86(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-2-(2-ethoxyethylsulfinyl)-1,3-benzothiazole

Drug info:

PubChemData

Smile

COC1=C(C=NC(=C1)CSC2=NC3=CC4=C(C=C3N2)OC(O4)(F)F)OCC5=CC=CC=C5

DOS

IR

Vibrations