Geometry & MOs

Info

ID:

191452

PubChem CID:

78148261

Reduced:

ClO2H4C5 (2)

Stoich.:

AB2C4D5 (2)

Weight, g/mol:

652.361133

ΔHf, kcal/mol:

-165.52

Dipole, Da:

2.76

IP(EA), eV:

 -9.58(-1.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[1-[5,7-dihydroxy-12,12,14,14,16,16-hexamethyl-4-(2-methylpropanoyl)-15-oxo-2,13-dioxatetracyclo[7.4.3.01,10.03,8]hexadeca-3,5,7-trien-6-yl]-2-methylpropyl]-5-hydroxy-2,2,6,6-tetramethylcyclohex-4-ene-1,3-dione

Drug info:

PubChemData

Smile

C1C(=O)C2=C(C1(C(Cl)Cl)O)C(=CC(=C2)O)O

DOS

IR

Vibrations