Geometry & MOs

Info

ID:

439751

PubChem CID:

135229571

Reduced:

NO2H41C70 (1)

Stoich.:

AB2C41D70 (1)

Weight, g/mol:

933.306536

ΔHf, kcal/mol:

243.61

Dipole, Da:

1.85

IP(EA), eV:

 -8.02(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-dibenzothiophen-2-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]-4'-ylphenyl)aniline

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC3=C2OC4=C(C35C6=CC=CC=C6C7=C5C=C(C=C7)N(C8=CC9=C(C=C8)C1=CC=CC=C1C91C2=CC=CC=C2C2=CC=CC=C12)C1=C2C3=CC=CC=C3OC2=CC=C1)C=CC1=CC=CC=C14

DOS

IR

Vibrations