Geometry & MOs

Info

ID:

442506

PubChem CID:

135252498

Reduced:

O2N9H41C65 (1)

Stoich.:

A2B9C41D65 (1)

Weight, g/mol:

745.255169

ΔHf, kcal/mol:

330.87

Dipole, Da:

6.35

IP(EA), eV:

 -8.1(-1.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[9-[4-[4-([1]benzothiolo[2,3-b]pyridin-4-yl)phenyl]phenyl]carbazol-3-yl]-N,N-diphenylaniline

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)C7=NC8=CC9=C(N=C(O9)C1=CC=C(C=C1)N1C2=C(C=C(C=C2)N(C2=CC=CC=C2)C2=CC=CC=C2)C2=C1C=CN=C2)N=C8O7

DOS

IR

Vibrations