Geometry & MOs

Info

ID:

317984

PubChem CID:

126648206

Reduced:

S6N9H61C117 (1)

Stoich.:

A6B9C61D117 (1)

Weight, g/mol:

1788.509136

ΔHf, kcal/mol:

625.96

Dipole, Da:

2.94

IP(EA), eV:

 -8.1(-1.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

8-[11-[4,5-bis([1]benzofuro[3,2-b]carbazol-11-yl)quinolin-7-yl]-[1]benzofuro[3,2-b]carbazol-3-yl]-11-[3,8-bis([1]benzofuro[3,2-b]carbazol-11-yl)quinoxalin-2-yl]-[1]benzofuro[3,2-b]carbazole

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=CC4=C(C=C3N2C5=NC(=C(C=C5)N6C7=C(C=C(C=C7)C8=CC9=C(C=C8)N(C1=C9C=C2C3=CC=CC=C3SC2=C1)C1=CC(=NN=C1N1C2=CC=CC=C2C2=CC3=C(C=C21)SC1=CC=CC=C13)N1C2=CC=CC=C2C2=CC3=C(C=C21)SC1=CC=CC=C13)C1=C6C=C2C(=C1)C1=CC=CC=C1S2)N1C2=CC=CC=C2C2=CC3=C(C=C21)SC1=CC=CC=C13)SC1=CC=CC=C14

DOS

IR

Vibrations