Geometry & MOs

Info

ID:	438129
PubChem CID:	135227752
Reduced:	BrN3H22C33 (1)
Stoich.:	AB3C22D33 (1)
Weight, g/mol:	543.04048
ΔH_f, kcal/mol:	179.54
Dipole, Da:	2.06
IP(EA), eV:	-9.21(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromophenyl)-4-dibenzothiophen-2-yl-6-naphthalen-1-yl-1,3,5-triazine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=CC=C2)C3=NC(=NC(=N3)C4=CC=C(C=C4)Br)C5=CC=CC(=C5)C6=CC=CC=C6

DOS

IR

Vibrations