Geometry & MOs

Info

ID:	314739
PubChem CID:	126622925
Reduced:	FO3N7H28C29 (1)
Stoich.:	AB3C7D28E29 (1)
Weight, g/mol:	317.01752
ΔH_f, kcal/mol:	-31.94
Dipole, Da:	6.19
IP(EA), eV:	-9.04(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,4R)-N-(6-bromo-5-methoxypyridin-2-yl)-4-fluoropyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=NC=C(C=N1)C2=CC3=C(C=C2)N(N=C3C(=O)C)CC(=O)N4C[C@@H](C[C@H]4C(=O)NC5=CC=CC(=N5)C6CC6)F

DOS

IR

Vibrations