Geometry & MOs

Info

ID:

316963

PubChem CID:

126632153

Reduced:

S3N5H45C80 (1)

Stoich.:

A3B5C45D80 (1)

Weight, g/mol:

1121.26806

ΔHf, kcal/mol:

395.7

Dipole, Da:

1.91

IP(EA), eV:

 -8.22(-1.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C(N2C4=CC5=C(C=C4)N=C(N=C5N6C7=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