Geometry & MOs

Info

ID:	8292
PubChem CID:	76031
Reduced:	NOSH7C8 (1)
Stoich.:	ABCD7E8 (1)
Weight, g/mol:	165.024835
ΔH_f, kcal/mol:	-14.85
Dipole, Da:	4.15
IP(EA), eV:	-8.94(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-1,3-benzothiazol-2-one

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2SC1=O

DOS

IR

Vibrations