Geometry & MOs

Info

ID:	298392
PubChem CID:	117649075
Reduced:	NS2H17C30 (1)
Stoich.:	AB2C17D30 (1)
Weight, g/mol:	588.183778
ΔH_f, kcal/mol:	139.39
Dipole, Da:	3.3
IP(EA), eV:	-8.14(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-([1]benzofuro[2,3-a]carbazol-12-yl)-11-phenyl-[1]benzofuro[3,2-b]carbazole

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C(N2C4=CC=CC5=C4SC6=CC=CC=C56)C=CC7=C3SC8=CC=CC=C78

DOS

IR

Vibrations