Geometry & MOs

Info

ID:	381890
PubChem CID:	134972751
Reduced:	S2H10C17 (1)
Stoich.:	A2B10C17 (1)
Weight, g/mol:	290.022393
ΔH_f, kcal/mol:	133.59
Dipole, Da:	1.39
IP(EA), eV:	-8.55(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-phenylethynyl)thieno[3,2-e][1]benzothiole

Drug info:

PubChemData

Smile

C1=CC(C=C1)C#CC2=CC3=C(S2)C=CC4=C3C=CS4

DOS

IR

Vibrations