Geometry & MOs

Info

ID:	227467
PubChem CID:	87561808
Reduced:	OSN2C8H8 (2)
Stoich.:	ABC2D8E8 (2)
Weight, g/mol:	319.044919
ΔH_f, kcal/mol:	1.01
Dipole, Da:	5.6
IP(EA), eV:	-8.94(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[5-(methylsulfonylmethyl)pyridin-3-yl]-1,3-benzothiazol-2-amine

Drug info:

PubChemData

Smile

C1CS(=O)(=O)CCN1C2=CN=CC(=C2)C3=CC4=C(C=C3)N=C(S4)N

DOS

IR

Vibrations