Geometry & MOs

Info

ID:	5825
PubChem CID:	13873
Reduced:	ClNSH6C8 (1)
Stoich.:	ABCD6E8 (1)
Weight, g/mol:	182.990948
ΔH_f, kcal/mol:	29.21
Dipole, Da:	2.75
IP(EA), eV:	-9.16(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-2-methyl-1,3-benzothiazole

Drug info:

PubChemData

Smile

CC1=NC2=C(S1)C=CC(=C2)Cl

DOS

IR

Vibrations