Geometry & MOs

Info

ID:

446772

PubChem CID:

135277595

Reduced:

NSH35C52 (1)

Stoich.:

ABC35D52 (1)

Weight, g/mol:

755.264671

ΔHf, kcal/mol:

217.84

Dipole, Da:

0.67

IP(EA), eV:

 -7.97(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-(4-naphthalen-2-yldibenzothiophen-3-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)N(C4=CC=CC=C4)C5=CC=C(C=C5)C6=C(C7=C(C=C6)C8=CC=CC=C8S7)C9=CC1=CC=CC=C1C=C9

DOS

IR

Vibrations