Geometry & MOs

Info

ID:

442516

PubChem CID:

135252599

Reduced:

SO2N6H40C58 (1)

Stoich.:

AB2C6D40E58 (1)

Weight, g/mol:

1061.420595

ΔHf, kcal/mol:

225.37

Dipole, Da:

4.8

IP(EA), eV:

 -8.09(-1.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[4-[3-carbazol-9-yl-5-[4-[8-(N-phenylanilino)pyrido[4,3-b]indol-5-yl]phenyl]phenyl]phenyl]-N,N-diphenylpyrido[4,3-b]indol-8-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC4=C(C=C3)N(C5=C4C=NC=C5)C6=CC=C(C=C6)S(=O)(=O)C7=CC=C(C=C7)N8C9=C(C=C(C=C9)N(C1=CC=CC=C1)C1=CC=CC=C1)C1=C8C=CN=C1

DOS

IR

Vibrations