Geometry & MOs

Info

ID:	377516
PubChem CID:	134223573
Reduced:	SN4H28C45 (1)
Stoich.:	AB4C28D45 (1)
Weight, g/mol:	668.22862
ΔH_f, kcal/mol:	239.67
Dipole, Da:	1.53
IP(EA), eV:	-8.26(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-cyclohepta-1,3,6-trien-1-yl-3-[8-(4,6-diphenylpyridin-2-yl)dibenzothiophen-2-yl]carbazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC(=NC(=N2)C3=CC4=C(C=C3)C5=C(S4)C=C(C=C5)C6=CC=C(C=C6)N7C8=CC=CC=C8C9=CC=CC=C97)C1=CC=CC=C1

DOS

IR

Vibrations