Geometry & MOs

Info

ID:

436792

PubChem CID:

135211568

Reduced:

SN2O2C31H45 (2)

Stoich.:

AB2C2D31E45 (2)

Weight, g/mol:

926.639287

ΔHf, kcal/mol:

-176.47

Dipole, Da:

1.05

IP(EA), eV:

 -8.32(-1.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-(5-tert-butylfuran-2-yl)-4-[5-(5-tert-butylthiophen-2-yl)thiophen-2-yl]-2,5-bis(2-hexyldecyl)pyrrolo[3,4-c]pyrrole-3,6-dione

Drug info:

PubChemData

Smile

CCCCCCCCC(CCCCCC)CN1C(=C2C(=C(N(C2=O)CC(CCCCCC)CCCCCCCC)C3=CC=C(O3)C(C)(C)N)C1=O)C4=CC=C(O4)C5=CC6=C(S5)C=CC7=C6SC(=C7)C(C)(C)N

DOS

IR

Vibrations