Geometry & MOs

Info

ID:	325216
PubChem CID:	126682027
Reduced:	NH18C27 (2)
Stoich.:	AB18C27 (2)
Weight, g/mol:	666.21297
ΔH_f, kcal/mol:	233.19
Dipole, Da:	3.11
IP(EA), eV:	-8.14(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(4-carbazol-9-ylphenyl)-2-dibenzothiophen-4-yl-9-phenylcarbazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=CC=C2)C3=CC=C(C=C3)C4=CC5=C(C=C4)C6=C(N5C7=CC=CC=C7)C=CC(=C6)C8=CC=C(C=C8)N9C1=CC=CC=C1C1=CC=CC=C19

DOS

IR

Vibrations