Geometry & MOs

Info

ID:

436798

PubChem CID:

135211598

Reduced:

NO2C30H46 (2)

Stoich.:

AB2C30D46 (2)

Weight, g/mol:

1208.54708

ΔHf, kcal/mol:

-226.14

Dipole, Da:

2.26

IP(EA), eV:

 -8.16(-1.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3,6-bis[5-(5-bromo-4-hexylthiophen-2-yl)furan-2-yl]-2,5-bis(2-hexyldecyl)-1-hydroxy-1H-pyrrolo[3,4-c]pyrrol-4-one

Drug info:

PubChemData

Smile

CCCCCCCCC(CCCCCC)CN1C(=C2C(=C(N(C2=O)CC(CCCCCC)CCCCCCCC)C3=CC=C(O3)C(C)(C)C)C1=O)C4=CC=C(O4)C5=CC=C(C=C5)C(C)(C)C

DOS

IR

Vibrations