Geometry & MOs

Info

ID:	322620
PubChem CID:	126670667
Reduced:	FNO5C15H26 (1)
Stoich.:	ABC5D15E26 (1)
Weight, g/mol:	473.168365
ΔH_f, kcal/mol:	-296.79
Dipole, Da:	4.82
IP(EA), eV:	-9.88(0.34)
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-[(4-fluorophenoxy)carbothioyloxymethyl]pyrrolidine-1,2-dicarboxylate

Drug info:

PubChemData

Smile

CCCCOC(=O)[C@@H]1CC(N1C(=O)OC(C)(C)C)[C@H](CO)F

DOS

IR

Vibrations