Geometry & MOs

Info

ID:

316981

PubChem CID:

126632197

Reduced:

S3N5H43C76 (1)

Stoich.:

A3B5C43D76 (1)

Weight, g/mol:

1198.294609

ΔHf, kcal/mol:

377.03

Dipole, Da:

0.92

IP(EA), eV:

 -8.45(-1.1)

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]-1,3,5-triazin-2-yl]carbazole

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C(N2C4=CC(=NC(=N4)N5C6=CC=CC=C6C7=C5C=C(C=C7)C8=CC9=C(C=C8)SC1=CC=CC=C19)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