Geometry & MOs

Info

ID:	446787
PubChem CID:	135277694
Reduced:	NS2H35C54 (1)
Stoich.:	AB2C35D54 (1)
Weight, g/mol:	629.217721
ΔH_f, kcal/mol:	230.05
Dipole, Da:	0.94
IP(EA), eV:	-7.98(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)N(C3=CC=C(C=C3)C4=CC=CC5=C4SC6=CC=CC=C56)C7=CC=C(C=C7)C8=C(C=C9C1=CC=CC=C1SC9=C8)C1=CC=CC=C1

DOS

IR

Vibrations