Geometry & MOs

Info

ID:	322580
PubChem CID:	126670562
Reduced:	O3N4C17H23 (2)
Stoich.:	A3B4C17D23 (2)
Weight, g/mol:	339.148201
ΔH_f, kcal/mol:	-132.18
Dipole, Da:	1.94
IP(EA), eV:	-8.72(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-O-benzyl 2-O-butyl (2S,3S,4S)-4-fluoro-3-hydroxypyrrolidine-1,2-dicarboxylate

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)N1CCC[C@H]1C2=NC=C(N2)C#CC#C/C(=C/C=C)/N=C([C@@H]3CCCN3C(=O)[C@H](C(C)C)NC(=O)OC)N)NC(=O)OC

DOS

IR

Vibrations