Geometry & MOs

Info

ID:	325262
PubChem CID:	126682353
Reduced:	N2F3O3C15H15 (1)
Stoich.:	A2B3C3D15E15 (1)
Weight, g/mol:	290.092992
ΔH_f, kcal/mol:	-139.34
Dipole, Da:	5.26
IP(EA), eV:	-10.49(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,5R,6S)-6-(1,1-difluoroethyl)-5-fluoro-4-(2-fluorophenyl)-4-methyloxan-2-one

Drug info:

PubChemData

Smile

CC1=N[C@]([C@H]([C@H](O1)C2(CC2)F)F)(C)C3=C(C=CC(=C3)[N+](=O)[O-])F

DOS

IR

Vibrations