Geometry & MOs

Info

ID:

219611

PubChem CID:

85149486

Reduced:

ClN4O6C32H39 (1)

Stoich.:

AB4C6D32E39 (1)

Weight, g/mol:

614.03378

ΔHf, kcal/mol:

-176.23

Dipole, Da:

5.27

IP(EA), eV:

 -8.96(-0.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[7,9-dibromo-2-(1-hydroxy-3-methylbutyl)-1-methoxy-8-methyl-12-oxo-10H-benzo[b][1,5]benzodioxocin-6-yl] 2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

COCC1C(C(C(C(O1)OCC2=CC=C(C=C2)Cl)NC(=O)CCCN=C(N)N)OCC3=CC=C(C=C3)C4=CC=CC=C4)O

DOS

IR

Vibrations