Geometry & MOs

Info

ID:	27656
PubChem CID:	822856
Reduced:	FNO3C16H20 (1)
Stoich.:	ABC3D16E20 (1)
Weight, g/mol:	331.041149
ΔH_f, kcal/mol:	-87.62
Dipole, Da:	7.55
IP(EA), eV:	-9.68(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5R)-4-[(4-chlorophenyl)-hydroxymethylidene]-5-(2-fluorophenyl)pyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

C[C@@]12CC[C@@H](C1(C)C)C[C@@H]2OC3=C(C=C(C=C3)[N+](=O)[O-])F

DOS

IR

Vibrations