Geometry & MOs

Info

ID:

439677

PubChem CID:

135229479

Reduced:

NO2H43C70 (1)

Stoich.:

AB2C43D70 (1)

Weight, g/mol:

933.306536

ΔHf, kcal/mol:

244.88

Dipole, Da:

2.05

IP(EA), eV:

 -8.2(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-dibenzothiophen-3-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]-2'-ylphenyl)aniline

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2(C3=C(C4=CC=CC=C42)C(=CC=C3)N(C5=CC6=C(C=C5)OC7=CC=CC=C76)C8=CC9=C(C=C8)C1=CC=CC=C1C91C2=C(C3=CC=CC=C3C=C2)OC2=C1C=CC1=CC=CC=C12)C1=CC=CC=C1

DOS

IR

Vibrations