Geometry & MOs

Info

ID:	388069
PubChem CID:	134988044
Reduced:	HC3Cl3 (2)
Stoich.:	AB3C3 (2)
Weight, g/mol:	284.090472
ΔH_f, kcal/mol:	2.53
Dipole, Da:	2.2
IP(EA), eV:	-10.06(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1E)-1-[4-(2,2-dimethylpropanoyl)-1,3-dithiol-2-ylidene]-3,3-dimethylbutan-2-one

Drug info:

PubChemData

Smile

C(=C/1\C(=C\Cl)\C(C1(Cl)Cl)(Cl)Cl)\Cl

DOS

IR

Vibrations