Geometry & MOs

Info

ID:

300727

PubChem CID:

123051080

Reduced:

FN3O6H20C25 (1)

Stoich.:

AB3C6D20E25 (1)

Weight, g/mol:

476.138365

ΔHf, kcal/mol:

-119.91

Dipole, Da:

2.7

IP(EA), eV:

 -8.1(-1.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4Z)-4-[(4-fluorophenyl)-hydroxymethylidene]-5-(4-hydroxy-3-nitrophenyl)-1-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

CN(C)C1=CC=C(C=C1)N2C(/C(=C(\C3=CC=C(C=C3)F)/O)/C(=O)C2=O)C4=CC(=C(C=C4)O)[N+](=O)[O-]

DOS

IR

Vibrations