Geometry & MOs

Info

ID:	314750
PubChem CID:	126622991
Reduced:	SF2N2O5H18C19 (1)
Stoich.:	AB2C2D5E18F19 (1)
Weight, g/mol:	328.00835
ΔH_f, kcal/mol:	-258.17
Dipole, Da:	3.32
IP(EA), eV:	-9.65(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S,4S)-3-azido-N-(6-bromopyridin-2-yl)-4-fluoropyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=CC=CC(=C1)C2=C(C(=CC=C2)NC(=O)[C@@H]3C[C@H](CN3C(=O)O)F)F

DOS

IR

Vibrations