Geometry & MOs

Info

ID:	388335
PubChem CID:	134988833
Reduced:	SO5C9H10 (1)
Stoich.:	AB5C9D10 (1)
Weight, g/mol:	285.88474
ΔH_f, kcal/mol:	-170.21
Dipole, Da:	5.8
IP(EA), eV:	-9.75(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4Z)-2,3,5-trichloro-4-[methylsulfanyl(sulfanyl)methylidene]cyclohexa-2,5-dien-1-one

Drug info:

PubChemData

Smile

COC(=O)C(=S1C=CC=C1O)C(=O)OC

DOS

IR

Vibrations