Geometry & MOs

Info

ID:	322569
PubChem CID:	126670549
Reduced:	NO6C15H27 (1)
Stoich.:	AB6C15D27 (1)
Weight, g/mol:	319.179501
ΔH_f, kcal/mol:	-312.88
Dipole, Da:	1.3
IP(EA), eV:	-9.89(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-O-butyl 1-O-tert-butyl (2S,4R)-4-fluoro-4-(hydroxymethyl)pyrrolidine-1,2-dicarboxylate

Drug info:

PubChemData

Smile

CCCCOC(=O)[C@@H]1C[C@@](CN1C(=O)OC(C)(C)C)(CO)O

DOS

IR

Vibrations