Geometry & MOs

Info

ID:	420958
PubChem CID:	135115123
Reduced:	ClO3N5C14H20 (1)
Stoich.:	AB3C5D14E20 (1)
Weight, g/mol:	314.083348
ΔH_f, kcal/mol:	5.71
Dipole, Da:	7.23
IP(EA), eV:	-9.02(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-6-fluoro-3-methyl-N-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]benzamide

Drug info:

PubChemData

Smile

CC1=C(C(=NC(=N1)N)N2C[C@H]3CN([C@@H](C2)COC3)CC(=O)O)Cl

DOS

IR

Vibrations