Geometry & MOs

Info

ID:	199153
PubChem CID:	79206890
Reduced:	BrNOSH12C14 (1)
Stoich.:	ABCDE12F14 (1)
Weight, g/mol:	319.02562
ΔH_f, kcal/mol:	16.74
Dipole, Da:	5.38
IP(EA), eV:	-8.59(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-chloro-2-(2-methylsulfanylphenyl)ethyl]-1,3-benzothiazole

Drug info:

PubChemData

Smile

CSC1=CC=C(C=C1)C(=O)C2=C(C=C(C=C2)N)Br

DOS

IR

Vibrations