Geometry & MOs

Info

ID:	377425
PubChem CID:	134223477
Reduced:	OSN2H28C48 (1)
Stoich.:	ABC2D28E48 (1)
Weight, g/mol:	664.215078
ΔH_f, kcal/mol:	194.03
Dipole, Da:	1.21
IP(EA), eV:	-8.04(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

12-phenyl-2-(12-phenyl-[1]benzofuro[2,3-a]carbazol-3-yl)-[1]benzofuro[2,3-a]carbazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=C(C=C(C=C3)C4=CC5=C(C=C4)C6=C(N5C7=CC=CC=C7)C8=C(C=C6)C9=CC=CC=C9S8)C1=C2C2=C(C=C1)C1=CC=CC=C1O2

DOS

IR

Vibrations