Geometry & MOs

Info

ID:	314840
PubChem CID:	126623609
Reduced:	BrClSN3O3C12H13 (1)
Stoich.:	ABCD3E3F12G13 (1)
Weight, g/mol:	358.109563
ΔH_f, kcal/mol:	-73.88
Dipole, Da:	5.52
IP(EA), eV:	-9.47(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C=CCN(C1C(=O)NC2=NC(=CC=C2)Br)S(=O)(=O)CCl

DOS

IR

Vibrations