Geometry & MOs

Info

ID:

439948

PubChem CID:

135229809

Reduced:

NO2H47C75 (1)

Stoich.:

AB2C47D75 (1)

Weight, g/mol:

933.306536

ΔHf, kcal/mol:

249.83

Dipole, Da:

2.01

IP(EA), eV:

 -8.06(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-dibenzothiophen-3-ylphenyl)-4-phenyl-N-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)aniline

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)N(C3=CC=C(C=C3)C4=CC5=C(C=C4)OC6=CC=CC=C65)C7=CC=CC(=C7)C8=CC=C(C=C8)C9=CC1=C(C=C9)C2=CC=CC=C2C11C2=C(C3=CC=CC=C3C=C2)OC2=C1C=CC1=CC=CC=C12

DOS

IR

Vibrations