Geometry & MOs

Info

ID:

316927

PubChem CID:

126632052

Reduced:

S3N6H56C93 (1)

Stoich.:

A3B6C56D93 (1)

Weight, g/mol:

1350.365315

ΔHf, kcal/mol:

446.23

Dipole, Da:

5.0

IP(EA), eV:

 -8.14(-1.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C(N2C4=CC=C(C=C4)C5=NC(=NC(N5)C6=CC(=CC=C6)N7C8=C(C=C(C=C8)C9=CC1=C(C=C9)SC2=CC=CC=C21)C1=CC=CC=C17)C1=CC(=CC=C1)N1C2=C(C=C(C=C2)C2=CC4=C(C=C2)SC2=CC=CC=C24)C2=CC=CC=C21)C=CC(=C3)C1=CC2=C(C=C1)SC1=CC=CC=C12

DOS

IR

Vibrations