Geometry & MOs

Info

ID:

439796

PubChem CID:

135229617

Reduced:

ON2H40C61 (1)

Stoich.:

AB2C40D61 (1)

Weight, g/mol:

1505.503505

ΔHf, kcal/mol:

234.64

Dipole, Da:

0.65

IP(EA), eV:

 -7.93(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[3-[4-[dibenzothiophen-4-yl(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]-3'-yl)amino]phenyl]phenyl]-N-naphthalen-2-yl-N-(4-phenylphenyl)spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17,19,21-decaene-13,9'-fluorene]-3'-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC=C(C=C3)N(C4=CC5=C(C=C4)C6(C7=C(C8=CC=CC=C8C=C7)OC9=C6C=CC1=CC=CC=C19)C1=CC=CC=C15)C1=CC=CC2=CC=CC=C21

DOS

IR

Vibrations