Geometry & MOs

Info

ID:	408006
PubChem CID:	135080761
Reduced:	OCl3C13H13 (1)
Stoich.:	AB3C13D13 (1)
Weight, g/mol:	295.999943
ΔH_f, kcal/mol:	-27.79
Dipole, Da:	1.36
IP(EA), eV:	-9.36(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(1,3-dithiolan-2-ylidene)-6-thiophen-2-ylhex-5-ene-2,4-dione

Drug info:

PubChemData

Smile

CCO/C(=C(/CC=C)\C1=C(C=C(C=C1)Cl)Cl)/Cl

DOS

IR

Vibrations