Geometry & MOs

Info

ID:	382006
PubChem CID:	134972905
Reduced:	OS2H16C26 (1)
Stoich.:	AB2C16D26 (1)
Weight, g/mol:	402.91121
ΔH_f, kcal/mol:	165.81
Dipole, Da:	3.61
IP(EA), eV:	-8.37(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C#CC2=CC3=C(S2)C=CC4=C3C=C(S4)C#CC5C=CC=C5

DOS

IR

Vibrations