Geometry & MOs

Info

ID:	137128
PubChem CID:	52155835
Reduced:	NO2C12H13 (2)
Stoich.:	AB2C12D13 (2)
Weight, g/mol:	450.231871
ΔH_f, kcal/mol:	-90.64
Dipole, Da:	7.4
IP(EA), eV:	-8.99(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5R)-5-(4-tert-butylphenyl)-4-[(4-fluorophenyl)-hydroxymethylidene]-1-(2-pyrrolidin-1-ylethyl)pyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)[C@@H]2C(=C(C3=CC=CC=C3)O)C(=O)C(=O)N2CCN4CCCC4

DOS

IR

Vibrations