Geometry & MOs

Info

ID:

442139

PubChem CID:

135250052

Reduced:

N2S2H48C55 (1)

Stoich.:

A2B2C48D55 (1)

Weight, g/mol:

744.263292

ΔHf, kcal/mol:

152.9

Dipole, Da:

1.24

IP(EA), eV:

 -8.44(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(C(SC(=N1)C2=CC=C(C=C2)C3=CC4=C(C=C3)C5=C(C=C4)C6=C(C57C8=CC=CC=C8C9=CC=CC=C79)C=C(C=C6)C1=CC=C(C=C1)C1=NC(C(S1)(C)C)(C)C)(C)C)C

DOS

IR

Vibrations