Geometry & MOs

Info

ID:	322584
PubChem CID:	126670566
Reduced:	BrFO2N3C11H13 (1)
Stoich.:	ABC2D3E11F13 (1)
Weight, g/mol:	417.06995
ΔH_f, kcal/mol:	-108.31
Dipole, Da:	3.8
IP(EA), eV:	-9.57(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (2S,4R)-2-[(6-bromopyridin-2-yl)carbamoyl]-4-fluoro-4-(hydroxymethyl)pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

C1[C@H](NC[C@]1(CO)F)C(=O)NC2=NC(=CC=C2)Br

DOS

IR

Vibrations