Geometry & MOs

Info

ID:	303359
PubChem CID:	124489566
Reduced:	N2F3O4H21C22 (1)
Stoich.:	A2B3C4D21E22 (1)
Weight, g/mol:	452.13592
ΔH_f, kcal/mol:	-250.44
Dipole, Da:	9.14
IP(EA), eV:	-9.55(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S)-5-[3-fluoro-4-(trifluoromethyl)phenyl]-4-[hydroxy-(6-methylpyridin-3-yl)methylidene]-1-(3-methoxypropyl)pyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

CC1=NC=C(C=C1)C(=C2[C@H](N(C(=O)C2=O)CCCOC)C3=CC=C(C=C3)C(F)(F)F)O

DOS

IR

Vibrations