Geometry & MOs

Info

ID:

317085

PubChem CID:

126632450

Reduced:

SN2H18C31 (3)

Stoich.:

AB2C18D31 (3)

Weight, g/mol:

1350.365315

ΔHf, kcal/mol:

468.76

Dipole, Da:

4.92

IP(EA), eV:

 -8.24(-1.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-[3-[2,6-bis[3-(1-dibenzothiophen-4-ylcarbazol-9-yl)phenyl]pyrimidin-4-yl]phenyl]-1-dibenzothiophen-4-ylcarbazole

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C(N2C4=CC=CC(=C4)C5=NC(=NC(=N5)C6=CC(=CC=C6)N7C8=CC=CC=C8C9=C7C(=CC=C9)C1=CC=CC2=C1SC1=CC=CC=C21)C1=CC(=CC=C1)N1C2=CC=CC=C2C2=C1C(=CC=C2)C1=CC=CC2=C1SC1=CC=CC=C21)C(=CC=C3)C1=CC=CC2=C1SC1=CC=CC=C21

DOS

IR

Vibrations