Geometry & MOs

Info

ID:	297734
PubChem CID:	117627655
Reduced:	FN2O3C12H13 (1)
Stoich.:	AB2C3D12E13 (1)
Weight, g/mol:	279.091829
ΔH_f, kcal/mol:	-77.74
Dipole, Da:	6.58
IP(EA), eV:	-9.75(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R,3R,4S,5S)-3,5-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-N-[(Z)-3-oxobut-1-enyl]acetamide

Drug info:

PubChemData

Smile

C[C@@H]1CCCN1C(=O)C2=C(C(=CC=C2)[N+](=O)[O-])F

DOS

IR

Vibrations