Geometry & MOs

Info

ID:

439634

PubChem CID:

135229420

Reduced:

O2H48C73 (1)

Stoich.:

A2B48C73 (1)

Weight, g/mol:

933.306536

ΔHf, kcal/mol:

224.09

Dipole, Da:

1.13

IP(EA), eV:

 -8.45(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-dibenzothiophen-3-ylphenyl)-3-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(C3=CC=CC=C3C4=C(C=CC=C42)CCC(C5=CC6=C(C=C5)OC7=CC=CC=C76)C8=C9C1=CC=CC=C1C1(C9=CC=C8)C2=C(C3=CC=CC=C3C=C2)OC2=C1C=CC1=CC=CC=C12)C1=CC=CC=C1

DOS

IR

Vibrations