Geometry & MOs

Info

ID:

316858

PubChem CID:

126631889

Reduced:

O5N6C39H50 (1)

Stoich.:

A5B6C39D50 (1)

Weight, g/mol:

1403.460395

ΔHf, kcal/mol:

-134.99

Dipole, Da:

5.25

IP(EA), eV:

 -8.95(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-dibenzofuran-3-yl-9-[6-[4-[6-(2-dibenzofuran-3-ylcarbazol-9-yl)naphthalen-2-yl]-6-[4-(2-dibenzofuran-3-ylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]naphthalen-2-yl]carbazole

Drug info:

PubChemData

Smile

C[C@H]1C(=O)N2CCC[C@H](N2)C(=O)CO[C@@H](C3=NC4=C(C=CC(=C4)/C=C/CCN(CCC(=O)N[C@H](C(=O)N1)C(C)C)CC5=CC=CC=C5)C=C3)C

DOS

IR

Vibrations