Geometry & MOs

Info

ID:

439994

PubChem CID:

135229865

Reduced:

NOH49C76 (1)

Stoich.:

ABC49D76 (1)

Weight, g/mol:

933.306536

ΔHf, kcal/mol:

289.45

Dipole, Da:

1.18

IP(EA), eV:

 -8.24(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-dibenzothiophen-2-ylphenyl)-2-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=C(C=C1)C2=CC(=CC=C2)N(C3=CC=C(C=C3)C4=C5C6=CC=CC=C6C7(C5=CC=C4)C8=C(C9=CC=CC=C9C=C8)OC1=C7C=CC2=CC=CC=C21)C1=CC2=C(C=C1)C(C1=CC=CC=C12)(C1=CC=CC=C1)C1=CC=CC=C1

DOS

IR

Vibrations