Geometry & MOs

Info

ID:	85451
PubChem CID:	49875357
Reduced:	ClSO2N4H7C11 (1)
Stoich.:	ABC2D4E7F11 (1)
Weight, g/mol:	382.92994
ΔH_f, kcal/mol:	-10.02
Dipole, Da:	8.0
IP(EA), eV:	-9.67(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-iodo-6-(4-methylsulfanylphenyl)-1,2-benzothiazole

Drug info:

PubChemData

Smile

C1C2=C(C=CC(=C2)Cl)N(C1=O)C(=O)NC3=CN=NS3

DOS

IR

Vibrations