Geometry & MOs

Info

ID:

300859

PubChem CID:

123055228

Reduced:

NO7C31H31 (1)

Stoich.:

AB7C31D31 (1)

Weight, g/mol:

535.13978

ΔHf, kcal/mol:

-218.66

Dipole, Da:

8.73

IP(EA), eV:

 -8.36(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[5-[(3Z)-1-(3-chlorophenyl)-3-[hydroxy-(4-propan-2-yloxyphenyl)methylidene]-4,5-dioxopyrrolidin-2-yl]-2-methoxyphenyl] acetate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)N2C(/C(=C(\C3=CC=C(C=C3)OC(C)C)/O)/C(=O)C2=O)C4=CC(=C(C=C4)OC)OC(=O)C)C

DOS

IR

Vibrations