Geometry & MOs

Info

ID:

428686

PubChem CID:

135167937

Reduced:

NH22C37 (2)

Stoich.:

AB22C37 (2)

Weight, g/mol:

994.338171

ΔHf, kcal/mol:

331.8

Dipole, Da:

2.2

IP(EA), eV:

 -7.95(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-2-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]-2'-amine

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC3=C2C4=CC=CC=C4C35C6=CC=CC=C6C7=C5C=C(C=C7)N(C8=CC9=C(C=C8)C1=CC=CC=C1C91C2=CC=CC=C2N2C3=CC=CC=C3C3=C2C1=CC=C3)C1=CC2=CC=CC=C2C2=CC=CC=C21

DOS

IR

Vibrations