Geometry & MOs

Info

ID:

442127

PubChem CID:

135249969

Reduced:

S2N4H36C45 (1)

Stoich.:

A2B4C36D45 (1)

Weight, g/mol:

752.30074

ΔHf, kcal/mol:

182.46

Dipole, Da:

5.69

IP(EA), eV:

 -8.79(-0.99)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4,4,5,5-tetramethyl-2-[5-[7'-[6-(4,4,5,5-tetramethyl-1,3-thiazol-2-yl)pyridin-3-yl]-9,9'-spirobi[fluorene]-2'-yl]pyridin-2-yl]-1,3-thiazole

Drug info:

PubChemData

Smile

CC1(CSC(=N1)C2=CN=CC(=C2)C3=CC4=C(C=C3)C5=C(C46C7=CC=CC=C7C8=CC=CC=C68)C=C(C=C5)C9=CC(=CN=C9)C1=NC(CS1)(C)C)C

DOS

IR

Vibrations