Geometry & MOs

Info

ID:

300601

PubChem CID:

123044896

Reduced:

ClN2O7H25C28 (1)

Stoich.:

AB2C7D25E28 (1)

Weight, g/mol:

541.246438

ΔHf, kcal/mol:

-150.92

Dipole, Da:

4.53

IP(EA), eV:

 -9.05(-1.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)N2C(/C(=C(\C3=CC(=CC=C3)OCC(C)C)/O)/C(=O)C2=O)C4=CC(=C(C=C4)O)[N+](=O)[O-])Cl

DOS

IR

Vibrations