Geometry & MOs

Info

ID:

316976

PubChem CID:

126632180

Reduced:

S3N5H49C86 (1)

Stoich.:

A3B5C49D86 (1)

Weight, g/mol:

1197.29936

ΔHf, kcal/mol:

414.26

Dipole, Da:

0.33

IP(EA), eV:

 -8.37(-1.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C(N2C4=CC5=C(C=C4)C=C(C=C5)C6=CC(=NC(=N6)N7C8=CC=CC=C8C9=C7C=C(C=C9)C1=CC2=C(C=C1)SC1=CC=CC=C12)N1C2=CC=CC=C2C2=C1C=C(C=C2)C1=CC2=C(C=C1)SC1=CC=CC=C12)C=C(C=C3)C1=CC2=C(C=C1)SC1=CC=CC=C12

DOS

IR

Vibrations