Geometry & MOs

Info

ID:	314833
PubChem CID:	126623570
Reduced:	FON2C9H11 (1)
Stoich.:	ABC2D9E11 (1)
Weight, g/mol:	484.00621
ΔH_f, kcal/mol:	-60.48
Dipole, Da:	3.02
IP(EA), eV:	-9.73(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

iodo 4-acetyloxy-2-tert-butyl-2-(2-chloro-5-fluoropyridin-3-yl)pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

C1[C@H](CNC1C2=CC(=CN=C2)F)O

DOS

IR

Vibrations