Geometry & MOs

Info

ID:

301041

PubChem CID:

123059562

Reduced:

ClNO6H30C31 (1)

Stoich.:

ABC6D30E31 (1)

Weight, g/mol:

531.205716

ΔHf, kcal/mol:

-183.94

Dipole, Da:

10.38

IP(EA), eV:

 -9.1(-1.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

propan-2-yl 4-[(3E)-2-(4-fluorophenyl)-3-[hydroxy-[3-(2-methylpropoxy)phenyl]methylidene]-4,5-dioxopyrrolidin-1-yl]benzoate

Drug info:

PubChemData

Smile

CC(C)COC1=CC=CC(=C1)/C(=C\2/C(N(C(=O)C2=O)C3=CC=C(C=C3)C(=O)OC(C)C)C4=CC=C(C=C4)Cl)/O

DOS

IR

Vibrations