Geometry & MOs

Info

ID:

301128

PubChem CID:

123059978

Reduced:

NCl3O4H20C26 (1)

Stoich.:

AB3C4D20E26 (1)

Weight, g/mol:

547.176165

ΔHf, kcal/mol:

-96.11

Dipole, Da:

10.11

IP(EA), eV:

 -8.92(-1.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)OC1=CC=CC(=C1)/C(=C\2/C(N(C(=O)C2=O)C3=CC(=C(C=C3)Cl)Cl)C4=CC=C(C=C4)Cl)/O

DOS

IR

Vibrations