Geometry & MOs

Info

ID:	127139
PubChem CID:	50992217
Reduced:	N3O3F4H15C17 (1)
Stoich.:	A3B3C4D15E17 (1)
Weight, g/mol:	346.124132
ΔH_f, kcal/mol:	-254.26
Dipole, Da:	3.86
IP(EA), eV:	-9.05(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(3R)-5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-3-fluoropyridine-2-carboxamide

Drug info:

PubChemData

Smile

C[C@]1(COCC(=N1)N)C2=C(C=CC(=C2)NC(=O)C3=COC(=C3)C(F)(F)F)F

DOS

IR

Vibrations