Geometry & MOs

Info

ID:	310273
PubChem CID:	126577758
Reduced:	OSN3H19C38 (1)
Stoich.:	ABC3D19E38 (1)
Weight, g/mol:	540.129634
ΔH_f, kcal/mol:	199.52
Dipole, Da:	5.73
IP(EA), eV:	-8.34(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C(N2C4=CC=CC(=C4C5=CC6=C(C=C5)OC7=C6C=C(C=C7)C#N)C#N)C8=C(C=C3)C9=CC=CC=C9S8

DOS

IR

Vibrations