Geometry & MOs

Info

ID:

375670

PubChem CID:

134220736

Reduced:

O3C21H22 (2)

Stoich.:

A3B21C22 (2)

Weight, g/mol:

748.307643

ΔHf, kcal/mol:

-97.64

Dipole, Da:

4.17

IP(EA), eV:

 -8.81(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(4-tert-butyl-2,5-difluorophenyl)-6-ethenyl-4,7-bis[5-(2-ethylhexyl)thiophen-2-yl]-1-benzothiophene-5-thiol

Drug info:

PubChemData

Smile

CCOC(=O)C1CCC(CC1)C(=O)OC2=CC=C(C=C2)C(=O)OC3(CCC(CC3)C)C#CC/C=C\C(=C/C)\C#CC4=CC=C(C=C4)C#C

DOS

IR

Vibrations