Geometry & MOs

Info

ID:	151396
PubChem CID:	53801190
Reduced:	FNSO2H10C15 (1)
Stoich.:	ABCD2E10F15 (1)
Weight, g/mol:	249.100108
ΔH_f, kcal/mol:	-45.08
Dipole, Da:	1.62
IP(EA), eV:	-8.41(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-oxo-1,2,4,4a,6,7,10,10a-octahydrophenoxazine-4-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=O)C(=C(C3=CC=C(C=C3)F)N)S2=O

DOS

IR

Vibrations