Geometry & MOs

Info

ID:	382005
PubChem CID:	134972904
Reduced:	OS2H15C26 (1)
Stoich.:	AB2C15D26 (1)
Weight, g/mol:	408.064257
ΔH_f, kcal/mol:	192.03
Dipole, Da:	3.12
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.742378
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C#CC2=CC3=C(S2)C=CC4=C3C=C(S4)C#CC5=C[CH-]C=C5

DOS

IR

Vibrations