Geometry & MOs

Info

ID:	310415
PubChem CID:	126579992
Reduced:	SN2H34C54 (1)
Stoich.:	AB2C34D54 (1)
Weight, g/mol:	615.176919
ΔH_f, kcal/mol:	240.64
Dipole, Da:	3.92
IP(EA), eV:	-7.91(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-(4-dibenzothiophen-4-ylphenyl)-12-phenylindolo[2,3-a]carbazole-2-carbonitrile

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)C3=C4C(=CC5=C3N(C6=CC=CC=C65)C7=CC=C(C=C7)C8=CC=CC9=C8SC1=CC=CC=C91)C1=CC=CC=C1N4C1=CC=CC=C1

DOS

IR

Vibrations