Geometry & MOs

Info

ID:	174618
PubChem CID:	75793640
Reduced:	SN2O3C22H24 (1)
Stoich.:	AB2C3D22E24 (1)
Weight, g/mol:	401.127466
ΔH_f, kcal/mol:	-44.23
Dipole, Da:	18.7
IP(EA), eV:	-8.03(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2,3-dimethoxyphenyl)-4-[(3-fluoro-4-methoxyphenyl)-hydroxymethylidene]-1-methylpyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

C1CC[NH+](CC1)CCN2C(C(=C(C2=O)[O-])C(=O)C3=CC=CS3)C4=CC=CC=C4

DOS

IR

Vibrations