Geometry & MOs

Info

ID:	137131
PubChem CID:	52156343
Reduced:	NO3C13H15 (2)
Stoich.:	AB3C13D15 (2)
Weight, g/mol:	442.170414
ΔH_f, kcal/mol:	-174.47
Dipole, Da:	8.55
IP(EA), eV:	-8.51(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S)-4-[(3-fluoro-4-methoxyphenyl)-hydroxymethylidene]-5-(2-fluorophenyl)-1-(2-pyrrolidin-1-ylethyl)pyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(=C2[C@@H](N(C(=O)C2=O)CCN3CCCC3)C4=C(C=CC(=C4)OC)OC)O

DOS

IR

Vibrations