Geometry & MOs

Info

ID:

442140

PubChem CID:

135250053

Reduced:

N2S2H40C51 (1)

Stoich.:

A2B2C40D51 (1)

Weight, g/mol:

794.434848

ΔHf, kcal/mol:

178.02

Dipole, Da:

0.93

IP(EA), eV:

 -8.46(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2,4,4,5,5-pentamethyl-1-[4-[3-[4-(2,4,4,5,5-pentamethylimidazol-1-yl)phenyl]spiro[benzo[a]fluorene-11,9'-fluorene]-9-yl]phenyl]imidazole

Drug info:

PubChemData

Smile

CC1(CSC(=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(CS1)(C)C)C

DOS

IR

Vibrations