Geometry & MOs

Info

ID:	382670
PubChem CID:	134973961
Reduced:	SH22C24 (1)
Stoich.:	AB22C24 (1)
Weight, g/mol:	232.011349
ΔH_f, kcal/mol:	56.38
Dipole, Da:	1.08
IP(EA), eV:	-8.48(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-1-methylbenzo[e][1]benzothiole

Drug info:

PubChemData

Smile

C1CCC(CC1)C2=C(C3=C(S2)C=CC4=CC=CC=C43)C5=CC=CC=C5

DOS

IR

Vibrations