Geometry & MOs

Info

ID:

301214

PubChem CID:

123069233

Reduced:

ClNF2O6H20C26 (1)

Stoich.:

ABC2D6E20F26 (1)

Weight, g/mol:

536.135029

ΔHf, kcal/mol:

-243.91

Dipole, Da:

6.14

IP(EA), eV:

 -8.87(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[(3E)-2-(3-chloro-4-hydroxy-5-methoxyphenyl)-3-[hydroxy-(2-methoxy-5-methylphenyl)methylidene]-4,5-dioxopyrrolidin-1-yl]phenyl]acetamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations