Geometry & MOs

Info

ID:

436791

PubChem CID:

135211552

Reduced:

ClF3O5N6H28C29 (1)

Stoich.:

AB3C5D6E28F29 (1)

Weight, g/mol:

1018.64035

ΔHf, kcal/mol:

-252.52

Dipole, Da:

3.49

IP(EA), eV:

 -8.96(-1.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[5-(2-aminopropan-2-yl)furan-2-yl]-1-[5-[2-(2-aminopropan-2-yl)thieno[2,3-e][1]benzothiol-7-yl]furan-2-yl]-2,5-bis(2-hexyldecyl)pyrrolo[3,4-c]pyrrole-3,6-dione

Drug info:

PubChemData

Smile

CNC(=O)C1=NC=C(C=C1)NC(=O)C(CCOC)N2C=C(C(=CC2=O)C3=C(C=CC(=C3)Cl)C4=CN(N=C4)CC(F)(F)F)OC

DOS

IR

Vibrations