Geometry & MOs

Info

ID:

446770

PubChem CID:

135277571

Reduced:

NOH35C52 (1)

Stoich.:

ABC35D52 (1)

Weight, g/mol:

755.264671

ΔHf, kcal/mol:

189.89

Dipole, Da:

1.34

IP(EA), eV:

 -7.99(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-(4-naphthalen-2-yldibenzothiophen-3-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)N(C3=CC=C(C=C3)C4=C(C5=C(C=C4)C6=CC=CC=C6O5)C7=CC=CC=C7)C8=CC=C(C=C8)C9=CC=CC1=CC=CC=C19

DOS

IR

Vibrations