Geometry & MOs

Info

ID:	325264
PubChem CID:	126682368
Reduced:	NOF3C14H14 (1)
Stoich.:	ABC3D14E14 (1)
Weight, g/mol:	271.082013
ΔH_f, kcal/mol:	-138.33
Dipole, Da:	1.57
IP(EA), eV:	-9.86(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,5R,6S)-5-fluoro-6-(1-fluoroethenyl)-4-(2-fluorophenyl)-4-methyl-1,3-oxazinan-2-one

Drug info:

PubChemData

Smile

CC1=N[C@]([C@H]([C@H](O1)C(=C)F)F)(C)C2=CC=CC=C2F

DOS

IR

Vibrations