Geometry & MOs

Info

ID:	310412
PubChem CID:	126579950
Reduced:	SN2H36C55 (1)
Stoich.:	AB2C36D55 (1)
Weight, g/mol:	615.176919
ΔH_f, kcal/mol:	217.6
Dipole, Da:	3.31
IP(EA), eV:	-7.94(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[7-(4-dibenzothiophen-4-ylphenyl)indolo[2,3-b]carbazol-5-yl]benzonitrile

Drug info:

PubChemData

Smile

CC1(C2=CC3=CC=CC=C3C=C2C4=C1C=C(C=C4)N5C6=CC=CC=C6C7=C5C=C8C(=C7)C9=CC=CC=C9N8C1=CC=C(C=C1)C1=CC=CC2=C1SC1=CC=CC=C21)C

DOS

IR

Vibrations