Geometry & MOs

Info

ID:

428175

PubChem CID:

135166381

Reduced:

ON2H44C71 (1)

Stoich.:

AB2C44D71 (1)

Weight, g/mol:

956.322521

ΔHf, kcal/mol:

425.56

Dipole, Da:

5.25

IP(EA), eV:

 -7.15(-1.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-dibenzothiophen-1-ylphenyl)-N-[2-(2-naphthalen-1-ylphenyl)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=C2C(=C1)C=CC=C2C3=CC=CC=C3C4=CC=CC=C4N(C5=CC=C(C=C5)C6=C7C8=CC=CC=C8OC7=CC=C6)C9=CC=CC1=C9C2=CC=CC=C2C11C2=CC=CC=C2N2C3=CC=CC=C3C3=C2C1=CC=C3

DOS

IR

Vibrations