Geometry & MOs

Info

ID:

439701

PubChem CID:

135229504

Reduced:

FSO2N8C36H39 (1)

Stoich.:

ABC2D8E36F39 (1)

Weight, g/mol:

957.36068

ΔHf, kcal/mol:

21.24

Dipole, Da:

8.04

IP(EA), eV:

 -8.31(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-(4-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)fluoren-3-amine

Drug info:

PubChemData

Smile

CS[C@]1(CCN(C1)CC(=O)C2CCN(CC2)C3=NC=C(C=C3)C4=NC=CC=N4)COCNC5=CC6=C(C=C5)NN=C6C7=CC=C(C=C7)F

DOS

IR

Vibrations