Geometry & MOs

Info

ID:	322621
PubChem CID:	126670668
Reduced:	NSF2O6C22H29 (1)
Stoich.:	ABC2D6E22F29 (1)
Weight, g/mol:	303.184586
ΔH_f, kcal/mol:	-349.63
Dipole, Da:	2.77
IP(EA), eV:	-9.43(-0.73)
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-methylpyrrolidine-1,2-dicarboxylate

Drug info:

PubChemData

Smile

CCCCOC(=O)[C@@H]1C[C@@](CN1C(=O)OC(C)(C)C)(COC(=S)OC2=CC=C(C=C2)F)F

DOS

IR

Vibrations