Geometry & MOs

Info

ID:

446771

PubChem CID:

135277584

Reduced:

NSH37C56 (1)

Stoich.:

ABC37D56 (1)

Weight, g/mol:

705.249021

ΔHf, kcal/mol:

233.71

Dipole, Da:

1.42

IP(EA), eV:

 -8.01(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-(4-naphthalen-2-yldibenzothiophen-3-yl)phenyl]-N-phenyl-4-(4-phenylphenyl)aniline

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)N(C3=CC=C(C=C3)C4=CC5=CC=CC=C5C=C4)C6=CC=C(C=C6)C7=C(C8=C(C=C7)C9=CC=CC=C9S8)C1=CC2=CC=CC=C2C=C1

DOS

IR

Vibrations