Geometry & MOs

Info

ID:	314822
PubChem CID:	126623513
Reduced:	NO5C12H21 (1)
Stoich.:	AB5C12D21 (1)
Weight, g/mol:	303.00187
ΔH_f, kcal/mol:	-244.09
Dipole, Da:	2.67
IP(EA), eV:	-9.71(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S,4S)-N-(6-bromopyridin-2-yl)-4-fluoro-3-hydroxypyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCCOC[C@H]1C(=O)OC

DOS

IR

Vibrations