Geometry & MOs

Info

ID:

442119

PubChem CID:

135249918

Reduced:

N3H24C25 (2)

Stoich.:

A3B24C25 (2)

Weight, g/mol:

694.247642

ΔHf, kcal/mol:

186.33

Dipole, Da:

6.55

IP(EA), eV:

 -8.28(-1.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(C(N(C(=N1)C2=CC=CC=C2)C3=CC=CC(=N3)C4=C5C=CC=CC5=C(C6=CC=CC=C64)C7=NC(=CC=C7)N8C(=NC(C8(C)C)(C)C)C9=CC=CC=C9)(C)C)C

DOS

IR

Vibrations