Geometry & MOs

Info

ID:

432929

PubChem CID:

135173066

Reduced:

SI4O6H38C45 (1)

Stoich.:

AB4C6D38E45 (1)

Weight, g/mol:

1029.8044

ΔHf, kcal/mol:

-86.71

Dipole, Da:

4.09

IP(EA), eV:

 -8.97(-1.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[1,4-bis(4-hydroxy-3-iodo-5-methylphenyl)-4-(4-hydroxy-3-iodo-5-sulfanylphenyl)cyclohexyl]-2-iodo-6-methylphenol

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1O)I)C(C)(C2=CC=C(C=C2)C(C)(C3=CC(=C(C(=C3)C)O)I)C4=CC(=C(C(=C4)I)O)SC(=O)OCC5=CC=CC=C5)C6=CC(=C(C(=C6)C)O)I

DOS

IR

Vibrations