Geometry & MOs

Info

ID:	310274
PubChem CID:	126577761
Reduced:	OSN2H20C37 (1)
Stoich.:	ABC2D20E37 (1)
Weight, g/mol:	565.124883
ΔH_f, kcal/mol:	169.23
Dipole, Da:	3.22
IP(EA), eV:	-8.41(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[2-([1]benzothiolo[2,3-a]carbazol-12-yl)-4-cyanophenyl]dibenzofuran-2-carbonitrile

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C(N2C4=C(C=CC(=C4)C#N)C5=CC6=C(C=C5)OC7=CC=CC=C76)C8=C(C=C3)SC9=CC=CC=C98

DOS

IR

Vibrations