Geometry & MOs

Info

ID:

428773

PubChem CID:

135168152

Reduced:

N3H49C78 (1)

Stoich.:

A3B49C78 (1)

Weight, g/mol:

1042.338171

ΔHf, kcal/mol:

357.68

Dipole, Da:

2.12

IP(EA), eV:

 -8.12(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-dibenzothiophen-1-ylphenyl)-N-spiro[benzo[c]fluorene-7,9'-fluorene]-2'-ylspiro[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(C3=C(C4=C2C=C(C=C4)N(C5=CC=C(C=C5)N6C7=CC=CC=C7C8=CC=CC=C86)C9=CC=CC1=C9C2=CC=CC=C2C11C2=CC=CC=C2N2C4=CC=CC=C4C4=C2C1=CC=C4)C1=CC=CC=C1C=C3)C1=CC=CC=C1

DOS

IR

Vibrations