Geometry & MOs

Info

ID:

301107

PubChem CID:

123059876

Reduced:

ClNO5H28C29 (1)

Stoich.:

ABC5D28E29 (1)

Weight, g/mol:

520.140114

ΔHf, kcal/mol:

-148.99

Dipole, Da:

6.38

IP(EA), eV:

 -8.7(-1.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations