Geometry & MOs

Info

ID:	310265
PubChem CID:	126577569
Reduced:	SN4H24C44 (1)
Stoich.:	AB4C24D44 (1)
Weight, g/mol:	526.15037
ΔH_f, kcal/mol:	256.23
Dipole, Da:	8.7
IP(EA), eV:	-8.42(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[8-(2-carbazol-9-ylphenyl)dibenzothiophen-3-yl]benzonitrile

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=C(C=C(C=C3)C4=C(C=C(C=C4)C#N)N5C6=C(C=C(C=C6)C#N)C7=CC=CC=C75)C8=C2C=CC9=C8SC1=CC=CC=C91

DOS

IR

Vibrations