Geometry & MOs

Info

ID:	446775
PubChem CID:	135277603
Reduced:	NSH31C46 (1)
Stoich.:	ABC31D46 (1)
Weight, g/mol:	553.186421
ΔH_f, kcal/mol:	195.64
Dipole, Da:	1.55
IP(EA), eV:	-8.04(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-naphthalen-2-yl-2-phenyl-N-(4-phenylphenyl)dibenzothiophen-3-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)N(C3=CC=C(C=C3)C4=C(C=C5C6=CC=CC=C6SC5=C4)C7=CC=CC=C7)C8=CC=CC9=CC=CC=C98

DOS

IR

Vibrations