Geometry & MOs

Info

ID:	449863
PubChem CID:	135302160
Reduced:	NOSH6C7 (2)
Stoich.:	ABCD6E7 (2)
Weight, g/mol:	272.044191
ΔH_f, kcal/mol:	0.8
Dipole, Da:	5.93
IP(EA), eV:	-9.24(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-methylpyridin-2-yl)methylsulfanyl]-1,3-benzothiazole

Drug info:

PubChemData

Smile

CC1=CN=C(C=C1)CS(=O)(=O)C2=NC3=CC=CC=C3S2

DOS

IR

Vibrations