Geometry & MOs

Info

ID:

445986

PubChem CID:

135271111

Reduced:

NSH37C54 (1)

Stoich.:

ABC37D54 (1)

Weight, g/mol:

831.259586

ΔHf, kcal/mol:

209.49

Dipole, Da:

2.19

IP(EA), eV:

 -8.13(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(6,8-diphenyldibenzothiophen-3-yl)-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-1-amine

Drug info:

PubChemData

Smile

C1CCC2(C1)C3=CC=CC=C3C4=C2C=C(C=C4)N(C5=C6C7=CC=CC=C7SC6=CC=C5)C8=CC=CC9=C8C1=CC=CC=C1C91C2=CC=CC=C2C2=CC=CC=C12

DOS

IR

Vibrations