Geometry & MOs

Info

ID:

442126

PubChem CID:

135249964

Reduced:

O2N4H36C45 (1)

Stoich.:

A2B4C36D45 (1)

Weight, g/mol:

696.23814

ΔHf, kcal/mol:

97.1

Dipole, Da:

6.72

IP(EA), eV:

 -8.79(-0.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(CN=C(O1)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=NCC(O1)(C)C)C

DOS

IR

Vibrations