Geometry & MOs

Info

ID:	381990
PubChem CID:	134972884
Reduced:	CuLiNOH5C9 (1)
Stoich.:	ABCDE5F9 (1)
Weight, g/mol:	377.045868
ΔH_f, kcal/mol:	118.31
Dipole, Da:	11.12
IP(EA), eV:	-8.26(0.5)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

[Li+].[C-]#N.C1=CC=C2C(=C1)C=[C-]O2.[Cu+]

DOS

IR

Vibrations