Geometry & MOs

Info

ID:

442494

PubChem CID:

135252481

Reduced:

S2N7H43C67 (1)

Stoich.:

A2B7C43D67 (1)

Weight, g/mol:

975.307021

ΔHf, kcal/mol:

370.73

Dipole, Da:

1.12

IP(EA), eV:

 -7.9(-1.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5,11-bis[4-(8-carbazol-9-ylpyrido[4,3-b]indol-5-yl)phenyl]-4,12-dioxa-2,6,10-triazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC4=C(C=C3)N(C5=CC=CC=C54)C6=CC=C(C=C6)C7=NC8=CC9=C(N=C8S7)SC(=N9)C1=CC=C(C=C1)N1C2=C(C=C(C=C2)N(C2=CC=CC=C2)C2=CC=CC=C2)C2=CC=CC=C21

DOS

IR

Vibrations