Geometry & MOs

Info

ID:	382007
PubChem CID:	134972906
Reduced:	IS2H8C17 (1)
Stoich.:	AB2C8D17 (1)
Weight, g/mol:	403.91904
ΔH_f, kcal/mol:	175.87
Dipole, Da:	0.56
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.583297
Charge, e:	0

Chem-info

IUPAC name:

7-(2-cyclopenta-2,4-dien-1-ylethynyl)-2-iodothieno[3,2-e][1]benzothiole

Drug info:

PubChemData

Smile

[CH-]1C=CC(=C1)C#CC2=CC3=C(S2)C=CC4=C3C=C(S4)I

DOS

IR

Vibrations