Geometry & MOs

Info

ID:	381978
PubChem CID:	134972869
Reduced:	OS2H18C19 (1)
Stoich.:	AB2C18D19 (1)
Weight, g/mol:	320.032957
ΔH_f, kcal/mol:	33.36
Dipole, Da:	1.8
IP(EA), eV:	-8.49(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(4-methoxyphenyl)ethynyl]thieno[3,2-e][1]benzothiole

Drug info:

PubChemData

Smile

COC1CCC(CC1)C#CC2=CC3=C(S2)C=CC4=C3C=CS4

DOS

IR

Vibrations