Geometry & MOs

Info

ID:

442144

PubChem CID:

135250071

Reduced:

O2N4H30C45 (1)

Stoich.:

A2B4C30D45 (1)

Weight, g/mol:

746.25379

ΔHf, kcal/mol:

161.94

Dipole, Da:

0.7

IP(EA), eV:

 -8.51(-1.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[6-[3-[5-(4,4-dimethyl-5H-1,3-thiazol-2-yl)pyridin-2-yl]spiro[benzo[a]fluorene-11,9'-fluorene]-9-yl]pyridin-3-yl]-4,4-dimethyl-5H-1,3-thiazole

Drug info:

PubChemData

Smile

C1COC(=N1)C2=CC=CC(=N2)C3=CC4=C(C=C3)C5=C(C=C4)C6=C(C57C8=CC=CC=C8C9=CC=CC=C79)C=C(C=C6)C1=NC(=CC=C1)C1=NCCO1

DOS

IR

Vibrations