Geometry & MOs

Info

ID:

316923

PubChem CID:

126632044

Reduced:

O3N6H48C85 (1)

Stoich.:

A3B6C48D85 (1)

Weight, g/mol:

1350.365315

ΔHf, kcal/mol:

346.83

Dipole, Da:

1.49

IP(EA), eV:

 -8.37(-1.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=CC=C2N3C4=C(C=C(C=C4)C5=CC6=C(C=C5)OC7=CC=CC=C76)C8=CC=CC=C83)C9=NC(=NC(=N9)N1C2=C(C=C(C=C2)C2=CC3=C(C=C2)OC2=CC=CC=C23)C2=CC=CC=C21)N1C2=C(C=C(C=C2)C2=CC3=C(C=C2)OC2=CC=CC=C23)C2=CC=CC=C21

DOS

IR

Vibrations