Geometry & MOs

Info

ID:	446743
PubChem CID:	135277366
Reduced:	NSH37C54 (1)
Stoich.:	ABC37D54 (1)
Weight, g/mol:	629.217721
ΔH_f, kcal/mol:	226.13
Dipole, Da:	1.35
IP(EA), eV:	-8.14(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-naphthalen-1-ylphenyl)-4-phenyl-N-(4-phenylphenyl)dibenzothiophen-3-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)N(C4=CC=C(C=C4)C5=CC=CC=C5)C6=CC=C(C=C6)C7=C(C8=C(C=C7)C9=CC=CC=C9S8)C1=CC=CC=C1

DOS

IR

Vibrations