Geometry & MOs

Info

ID:	377383
PubChem CID:	134223433
Reduced:	ON2H34C51 (1)
Stoich.:	AB2C34D51 (1)
Weight, g/mol:	755.239519
ΔH_f, kcal/mol:	171.91
Dipole, Da:	3.77
IP(EA), eV:	-8.04(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-(5,7-diphenylindolo[2,3-b]carbazol-3-yl)-7-phenyl-[1]benzothiolo[2,3-b]carbazole

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2C3=C1C=C4C(=C3)C5=C(N4C6=CC=CC=C6)C=CC(=C5)C7=CC8=C(C=C7)C9=C(N8C1=CC=CC=C1)C=C1C(=C9)C2=CC=CC=C2O1)C

DOS

IR

Vibrations