Geometry & MOs

Info

ID:

379035

PubChem CID:

134352106

Reduced:

NC25H25 (1)

Stoich.:

AB25C25 (1)

Weight, g/mol:

1875.466557

ΔHf, kcal/mol:

80.98

Dipole, Da:

1.77

IP(EA), eV:

-8.12(-0.34)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

5-fluoro-4-[5-[5-[4-[5-[5-[5-fluoro-7-[5-(2-octyldodecyl)thiophen-2-yl]-2,1,3-benzothiadiazol-4-yl]thiophen-2-yl]thiophen-2-yl]-2,6-bis(5-thiophen-2-ylthiophen-2-yl)thieno[2,3-f][1]benzothiol-8-yl]thiophen-2-yl]thiophen-2-yl]-7-[5-(2-octyldodecyl)thiophen-2-yl]-2,1,3-benzothiadiazole

Drug info:

PubChemData

Smile

C=C(C1CC1)N2CCCC3=C2C=CC(=C3)CC4=CC5=CC=CC=C5C=C4

DOS

IR

Vibrations