Geometry & MOs

Info

ID:	322583
PubChem CID:	126670565
Reduced:	FNO3C14H18 (1)
Stoich.:	ABC3D14E18 (1)
Weight, g/mol:	317.01752
ΔH_f, kcal/mol:	-151.82
Dipole, Da:	2.54
IP(EA), eV:	-9.2(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,4R)-N-(6-bromopyridin-2-yl)-4-fluoro-4-(hydroxymethyl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CN1C[C@@H]([C@H]([C@H]1C(=O)OCC2=CC=CC=C2)OC)F

DOS

IR

Vibrations