Geometry & MOs

Info

ID:	53302
PubChem CID:	14710264
Reduced:	CuISH2C6 (1)
Stoich.:	ABCD2E6 (1)
Weight, g/mol:	465.78439
ΔH_f, kcal/mol:	152.34
Dipole, Da:	3.92
IP(EA), eV:	-8.77(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-iodo-2-[4-(3-iodothiophen-2-yl)buta-1,3-diynyl]thiophene

Drug info:

PubChemData

Smile

[C-]#CC1=C(C=CS1)I.[Cu+]

DOS

IR

Vibrations