Geometry & MOs

Info

ID:

440056

PubChem CID:

135229941

Reduced:

ClSF2N4H19C21 (1)

Stoich.:

ABC2D4E19F21 (1)

Weight, g/mol:

791.318815

ΔHf, kcal/mol:

-17.07

Dipole, Da:

4.01

IP(EA), eV:

 -8.42(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(9,9-dimethylfluoren-4-yl)-N-(2-phenylphenyl)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]-4'-amine

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Cl)SC2=CN=C3C(=N2)N(CCN3)CC4=C(C=CC(=C4C)F)F

DOS

IR

Vibrations