Geometry & MOs

Info

ID:	441272
PubChem CID:	135233878
Reduced:	ON4H30C46 (1)
Stoich.:	AB4C30D46 (1)
Weight, g/mol:	717.223869
ΔH_f, kcal/mol:	228.71
Dipole, Da:	3.63
IP(EA), eV:	-8.83(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-diphenyl-6-[4-(8-triphenylen-2-yldibenzothiophen-1-yl)phenyl]-1,3,5-triazine

Drug info:

PubChemData

Smile

C1C=CC=CC1C2=NC(=NC(=N2)C3=CC(=CC(=C3)C4=C5C(=CC=C4)OC6=C5C=C(C=C6)C7=CC=C(C=C7)C8=CC=CC=C8)C#N)C9=CC=CC=C9

DOS

IR

Vibrations