Geometry & MOs

Info

ID:	322578
PubChem CID:	126670560
Reduced:	NO5C17H21 (1)
Stoich.:	AB5C17D21 (1)
Weight, g/mol:	319.179501
ΔH_f, kcal/mol:	-159.86
Dipole, Da:	1.72
IP(EA), eV:	-9.86(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-O-butyl 1-O-tert-butyl (2S,3S,4S)-4-fluoro-3-methoxypyrrolidine-1,2-dicarboxylate

Drug info:

PubChemData

Smile

CCCCOC(=O)[C@@H]1C2[C@H](O2)CN1C(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations