Geometry & MOs

Info

ID:	314855
PubChem CID:	126623752
Reduced:	FOSN2C21H21 (1)
Stoich.:	ABCD2E21F21 (1)
Weight, g/mol:	318.094662
ΔH_f, kcal/mol:	-35.15
Dipole, Da:	1.41
IP(EA), eV:	-8.66(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (2R,4S)-2-(2-chloro-5-fluoropyridin-3-yl)-4-fluoropyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

C1CC[C@H](NCC1)C(=O)NC2=CC=CC(=C2F)C3=CSC4=CC=CC=C43

DOS

IR

Vibrations