Geometry & MOs

Info

ID:	4766
PubChem CID:	11989
Reduced:	NS2H7C8 (1)
Stoich.:	AB2C7D8 (1)
Weight, g/mol:	181.001992
ΔH_f, kcal/mol:	52.05
Dipole, Da:	0.65
IP(EA), eV:	-8.73(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methylsulfanyl-1,3-benzothiazole

Drug info:

PubChemData

Smile

CSC1=NC2=CC=CC=C2S1

DOS

IR

Vibrations