Geometry & MOs

Info

ID:

300678

PubChem CID:

123050778

Reduced:

ClFNO5H19C25 (1)

Stoich.:

ABCD5E19F25 (1)

Weight, g/mol:

487.163102

ΔHf, kcal/mol:

-158.51

Dipole, Da:

11.03

IP(EA), eV:

 -8.67(-1.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 2-[4-[(3Z)-2-(3-hydroxy-4-methoxyphenyl)-3-[hydroxy-(4-methylphenyl)methylidene]-4,5-dioxopyrrolidin-1-yl]phenyl]acetate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations