Geometry & MOs

Info

ID:	381991
PubChem CID:	134972888
Reduced:	S2H13C25 (1)
Stoich.:	A2B13C25 (1)
Weight, g/mol:	378.053693
ΔH_f, kcal/mol:	232.11
Dipole, Da:	1.46
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.834180
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

[CH-]1C=CC(=C1)C#CC2=CC3=C(S2)C=CC4=C3C=C(S4)C#CC5=CC=CC=C5

DOS

IR

Vibrations