Geometry & MOs

Info

ID:

428750

PubChem CID:

135168064

Reduced:

NH17C28 (3)

Stoich.:

AB17C28 (3)

Weight, g/mol:

994.338171

ΔHf, kcal/mol:

380.04

Dipole, Da:

0.46

IP(EA), eV:

 -7.85(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-dibenzothiophen-1-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=C(C=C1)N2C3=CC=CC=C3C4=C2C=C(C=C4)C5=CC=C(C=C5)N(C6=CC7=C(C=C6)C8=CC=CC=C8C79C1=CC=CC=C1N1C2=CC=CC=C2C2=C1C9=CC=C2)C1=CC2=C(C=C1)C1=C(C22C3=CC=CC=C3C3=CC=CC=C23)C=CC2=CC=CC=C21

DOS

IR

Vibrations