Geometry & MOs

Info

ID:	322581
PubChem CID:	126670563
Reduced:	FNO5C17H22 (1)
Stoich.:	ABC5D17E22 (1)
Weight, g/mol:	253.111422
ΔH_f, kcal/mol:	-256.52
Dipole, Da:	4.3
IP(EA), eV:	-9.8(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl (2S,3S,4S)-4-fluoro-3-hydroxy-1-methylpyrrolidine-2-carboxylate

Drug info:

PubChemData

Smile

CCCCOC(=O)[C@@H]1[C@@H]([C@H](CN1C(=O)OCC2=CC=CC=C2)F)O

DOS

IR

Vibrations