Geometry & MOs

Info

ID:

440040

PubChem CID:

135229925

Reduced:

ClOF3N6C25H28 (1)

Stoich.:

ABC3D6E25F28 (1)

Weight, g/mol:

899.322186

ΔHf, kcal/mol:

-96.41

Dipole, Da:

3.62

IP(EA), eV:

 -8.16(-0.95)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(9,9-dimethylfluoren-4-yl)-N-(3-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)-8,9-dihydrodibenzothiophen-2-amine

Drug info:

PubChemData

Smile

C/C=C(/NC1=CN=C(C=C1)N2CCOCC2)\N=C\3/C(=C)NCCN3CC4=C(C=CC(=C4)C(F)(F)F)Cl

DOS

IR

Vibrations