Geometry & MOs

Info

ID:

316961

PubChem CID:

126632150

Reduced:

S3N5H47C82 (1)

Stoich.:

A3B5C47D82 (1)

Weight, g/mol:

1247.31501

ΔHf, kcal/mol:

398.69

Dipole, Da:

1.6

IP(EA), eV:

 -8.44(-1.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-dibenzothiophen-3-yl-9-[6-(2-dibenzothiophen-3-ylcarbazol-9-yl)-4-[4-(2-dibenzothiophen-3-ylcarbazol-9-yl)phenyl]quinazolin-2-yl]carbazole

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C(N2C4=CC=C(C=C4)C5=CC(=NC(=N5)N6C7=CC=CC=C7C8=C6C=C(C=C8)C9=CC1=C(C=C9)C2=CC=CC=C2S1)N1C2=CC=CC=C2C2=C1C=C(C=C2)C1=CC2=C(C=C1)C1=CC=CC=C1S2)C=C(C=C3)C1=CC2=C(C=C1)C1=CC=CC=C1S2

DOS

IR

Vibrations