Geometry & MOs

Info

ID:	429346
PubChem CID:	135169320
Reduced:	O2H12C15 (1)
Stoich.:	A2B12C15 (1)
Weight, g/mol:	256.038043
ΔH_f, kcal/mol:	9.8
Dipole, Da:	1.71
IP(EA), eV:	-8.35(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1E,3E)-penta-1,3-dienyl]thieno[2,3-f][1]benzothiole

Drug info:

PubChemData

Smile

C/C=C/C=C/C1=C2C(=CC3=C1C=CO3)C=CO2

DOS

IR

Vibrations