Geometry & MOs

Info

ID:	318937
PubChem CID:	126653778
Reduced:	BrFO3N6H24C27 (1)
Stoich.:	ABC3D6E24F27 (1)
Weight, g/mol:	388.07978
ΔH_f, kcal/mol:	-50.09
Dipole, Da:	6.41
IP(EA), eV:	-8.98(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (2S,4R)-2-[2-(6-bromopyridin-2-yl)-1-hydroxyethyl]-4-fluoropyrrolidine-1-carboxylate

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)CC5=NC(=CC=C5)Br)F

DOS

IR

Vibrations