Geometry & MOs

Info

ID:

428798

PubChem CID:

135168177

Reduced:

SN2H44C74 (1)

Stoich.:

AB2C44D74 (1)

Weight, g/mol:

992.322521

ΔHf, kcal/mol:

335.85

Dipole, Da:

3.13

IP(EA), eV:

 -8.08(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-dibenzothiophen-4-ylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-4'-amine

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=CC=CC=C3C24C5=C(C6=CC=CC=C46)C(=CC=C5)N(C7=CC=C(C=C7)C8=CC9=C(C=C8)SC1=CC=CC=C19)C1=CC=CC2=C1C1=CC=CC=C1C21C2=CC=CC=C2N2C3=CC=CC=C3C3=C2C1=CC=C3

DOS

IR

Vibrations