Geometry & MOs

Info

ID:

428156

PubChem CID:

135166300

Reduced:

SN2H42C67 (1)

Stoich.:

AB2C42D67 (1)

Weight, g/mol:

906.306871

ΔHf, kcal/mol:

295.64

Dipole, Da:

0.89

IP(EA), eV:

 -8.01(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-dibenzothiophen-2-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]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=C(C=C1)C2=CC=C(C=C2)C3=CC=CC=C3N(C4=CC=C(C=C4)C5=CC=CC6=C5SC7=CC=CC=C67)C8=CC=CC9=C8C1=CC=CC=C1C91C2=CC=CC=C2N2C3=CC=CC=C3C3=C2C1=CC=C3

DOS

IR

Vibrations