Geometry & MOs

Info

ID:

214726

PubChem CID:

85083488

Reduced:

N2O7C34H38 (1)

Stoich.:

A2B7C34D38 (1)

Weight, g/mol:

586.350569

ΔHf, kcal/mol:

-254.53

Dipole, Da:

9.01

IP(EA), eV:

 -9.0(-0.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-(6-ethyl-3,5-dimethyl-4-oxopyran-2-yl)-5-hydroxy-8-[6-(3-hydroxypentan-2-yl)-3,5-dimethyl-4-oxopyran-2-yl]-4,6-dimethylnon-6-en-3-yl] acetate

Drug info:

PubChemData

Smile

C1CC(C2(C1)CCC(C2O)NC(=O)C(CC3=CC=C(C=C3)OCC4=CC=CC=C4)NC(=O)OCC5=CC=CC=C5)C(=O)O

DOS

IR

Vibrations