Geometry & MOs

Info

ID:	169105
PubChem CID:	75065186
Reduced:	SO4N5H9C12 (1)
Stoich.:	AB4C5D9E12 (1)
Weight, g/mol:	469.210052
ΔH_f, kcal/mol:	30.92
Dipole, Da:	5.22
IP(EA), eV:	-9.66(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-butoxy-3-methoxyphenyl)-4-[hydroxy-(4-methoxyphenyl)methylidene]-1-(2-methoxyethyl)pyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C=NNC(=O)C(=O)NC2=NC=CS2)[N+](=O)[O-]

DOS

IR

Vibrations