Geometry & MOs

Info

ID:	9890
PubChem CID:	94494
Reduced:	ClNOSH4C7 (1)
Stoich.:	ABCDE4F7 (1)
Weight, g/mol:	184.970213
ΔH_f, kcal/mol:	-23.42
Dipole, Da:	3.64
IP(EA), eV:	-9.32(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-3H-1,3-benzothiazol-2-one

Drug info:

PubChemData

Smile

C1=CC2=C(C(=C1)Cl)NC(=O)S2

DOS

IR

Vibrations