Geometry & MOs

Info

ID:	24513
PubChem CID:	610694
Reduced:	ClOS2H15C18 (1)
Stoich.:	ABC2D15E18 (1)
Weight, g/mol:	346.025285
ΔH_f, kcal/mol:	0.72
Dipole, Da:	2.82
IP(EA), eV:	-8.65(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-chloro-3-methyl-1-benzothiophen-2-yl)-2-(4-methylphenyl)sulfanylethanone

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)SCC(=O)C2=C(C3=C(S2)C=CC(=C3)Cl)C

DOS

IR

Vibrations