Geometry & MOs

Info

ID:	391810
PubChem CID:	135009751
Reduced:	FNO2H20C21 (1)
Stoich.:	ABC2D20E21 (1)
Weight, g/mol:	307.158372
ΔH_f, kcal/mol:	-26.29
Dipole, Da:	4.09
IP(EA), eV:	-9.36(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (3R,5S,6S)-5-fluoro-3-methyl-4-methylidene-6-phenyloxazinane-2-carboxylate

Drug info:

PubChemData

Smile

C[C@@]1([C@@H](ON(CC1=C)C(=O)/C=C/C2=CC=CC=C2)C3=CC=CC=C3)F

DOS

IR

Vibrations