Geometry & MOs

Info

ID:	13019
PubChem CID:	219995
Reduced:	ClOSH7C9 (1)
Stoich.:	ABCD7E9 (1)
Weight, g/mol:	197.990614
ΔH_f, kcal/mol:	-19.55
Dipole, Da:	2.64
IP(EA), eV:	-8.51(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-4-methyl-1-benzothiophen-3-ol

Drug info:

PubChemData

Smile

CC1=CC(=CC2=C1C(=CS2)O)Cl

DOS

IR

Vibrations