Geometry & MOs

Info

ID:

414238

PubChem CID:

135087194

Reduced:

O2C5H10 (1)

Stoich.:

A2B5C10 (1)

Weight, g/mol:

1988.232888

ΔHf, kcal/mol:

-102.25

Dipole, Da:

2.72

IP(EA), eV:

-9.8(2.02)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

1-[5-(2,1,3-benzothiadiazol-4-yl)thiophen-2-yl]-4-[5-[5-[1-[5-(2,1,3-benzothiadiazol-4-yl)thiophen-2-yl]-2,5-bis(2-octyldodecyl)-3,6-dioxopyrrolo[3,4-c]pyrrol-4-yl]thiophen-2-yl]thiophen-2-yl]-2,5-bis(2-octyldodecyl)pyrrolo[3,4-c]pyrrole-3,6-dione

Drug info:

PubChemData

Smile

[3H]C1CCC(CO1)O

DOS

IR

Vibrations