Geometry & MOs

Info

ID:

316962

PubChem CID:

126632152

Reduced:

S3N5H49C86 (1)

Stoich.:

A3B5C49D86 (1)

Weight, g/mol:

1171.28371

ΔHf, kcal/mol:

418.62

Dipole, Da:

2.61

IP(EA), eV:

 -8.26(-1.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-[2,4-bis(2-dibenzothiophen-3-ylcarbazol-9-yl)quinazolin-6-yl]-2-dibenzothiophen-3-ylcarbazole

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C(N2C4=CC=C(C=C4)C5=NC(=NC6=C5C=C(C=C6)N7C8=CC=CC=C8C9=C7C=C(C=C9)C1=CC2=C(C=C1)C1=CC=CC=C1S2)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