Geometry & MOs

Info

ID:

442128

PubChem CID:

135249971

Reduced:

S2N4H44C49 (1)

Stoich.:

A2B4C44D49 (1)

Weight, g/mol:

746.409696

ΔHf, kcal/mol:

161.26

Dipole, Da:

0.62

IP(EA), eV:

 -8.72(-1.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-(2,4,4,5,5-pentamethylimidazol-1-yl)-5-[7'-[5-(2,4,4,5,5-pentamethylimidazol-1-yl)pyridin-3-yl]-9,9'-spirobi[fluorene]-2'-yl]pyridine

Drug info:

PubChemData

Smile

CC1(C(SC(=N1)C2=NC=C(C=C2)C3=CC4=C(C=C3)C5=C(C46C7=CC=CC=C7C8=CC=CC=C68)C=C(C=C5)C9=CN=C(C=C9)C1=NC(C(S1)(C)C)(C)C)(C)C)C

DOS

IR

Vibrations