Geometry & MOs

Info

ID:

301010

PubChem CID:

123059324

Reduced:

NO6C32H33 (1)

Stoich.:

AB6C32D33 (1)

Weight, g/mol:

499.199488

ΔHf, kcal/mol:

-179.67

Dipole, Da:

7.21

IP(EA), eV:

 -9.14(-1.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-[(4Z)-4-[(3-ethoxyphenyl)-hydroxymethylidene]-2,3-dioxo-5-(4-propan-2-ylphenyl)pyrrolidin-1-yl]phenyl]acetic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations