Geometry & MOs

Info

ID:

301043

PubChem CID:

123059595

Reduced:

FSN2O6H25C27 (1)

Stoich.:

ABC2D6E25F27 (1)

Weight, g/mol:

545.221366

ΔHf, kcal/mol:

-196.79

Dipole, Da:

12.73

IP(EA), eV:

 -9.39(-1.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

butyl 3-[(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)S(=O)(=O)N)C4=CC=C(C=C4)F)/O

DOS

IR

Vibrations