Geometry & MOs

Info

ID:

315817

PubChem CID:

126628934

Reduced:

O3N4H32C57 (1)

Stoich.:

A3B4C32D57 (1)

Weight, g/mol:

732.234768

ΔHf, kcal/mol:

215.04

Dipole, Da:

1.58

IP(EA), eV:

 -8.09(-1.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-[6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]-3-phenylcarbazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC(=NC(=N2)C3=CC=CC4=C3OC5=C4C=C(C=C5)N6C7=C(C=C(C=C7)C8=CC=CC9=C8OC1=CC=CC=C91)C1=CC=CC=C16)C1=CC=CC2=C1OC1=CC=CC=C21

DOS

IR

Vibrations