Geometry & MOs

Info

ID:

428727

PubChem CID:

135168041

Reduced:

NH25C39 (2)

Stoich.:

AB25C39 (2)

Weight, g/mol:

994.338171

ΔHf, kcal/mol:

344.44

Dipole, Da:

0.51

IP(EA), eV:

 -7.89(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-dibenzothiophen-4-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)C2=CC=C(C=C2)C3=CC=CC=C3N(C4=CC5=C(C=C4)C6=CC=CC=C6C57C8=CC=CC=C8N9C1=CC=CC=C1C1=C9C7=CC=C1)C1=CC2=C(C3=CC=CC=C31)C1=CC=CC=C1C2(C1=CC=CC=C1)C1=CC=CC=C1

DOS

IR

Vibrations