Geometry & MOs

Info

ID:

301034

PubChem CID:

123059488

Reduced:

NCl2O5H25C28 (1)

Stoich.:

AB2C5D25E28 (1)

Weight, g/mol:

534.155764

ΔHf, kcal/mol:

-142.81

Dipole, Da:

6.69

IP(EA), eV:

 -9.11(-1.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-[(3Z)-2-(3-chloro-4-hydroxyphenyl)-3-[hydroxy-[3-(2-methylpropoxy)phenyl]methylidene]-4,5-dioxopyrrolidin-1-yl]phenyl]acetamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations