Geometry & MOs

Info

ID:	442529
PubChem CID:	135252707
Reduced:	NF3O3H20C39 (1)
Stoich.:	AB3C3D20E39 (1)
Weight, g/mol:	701.213698
ΔH_f, kcal/mol:	-61.85
Dipole, Da:	2.55
IP(EA), eV:	-8.29(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-(2,6-diphenylpyridin-4-yl)sulfonylphenyl]-7-phenylindolo[2,3-b]carbazole

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=CC4=C(C=C3N2C5=CC6=C(C=C5)OC(=CC6=O)C7=CC=C(C=C7)C8=C(C(=C(C=C8)F)F)F)OC9=CC=CC=C94

DOS

IR

Vibrations