Geometry & MOs

Info

ID:

300664

PubChem CID:

123050712

Reduced:

NF2O5H19C26 (1)

Stoich.:

AB2C5D19E26 (1)

Weight, g/mol:

499.199488

ΔHf, kcal/mol:

-204.19

Dipole, Da:

9.3

IP(EA), eV:

 -9.13(-1.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[5-[(3Z)-3-[hydroxy-(4-methylphenyl)methylidene]-4,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-2-yl]-2-methoxyphenyl] acetate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)C3=C(C=CC(=C3)F)F)C4=CC(=CC=C4)OC(=O)C)/O

DOS

IR

Vibrations