Geometry & MOs

Info

ID:	163135
PubChem CID:	57646527
Reduced:	ClFN2O4H12C15 (1)
Stoich.:	ABC2D4E12F15 (1)
Weight, g/mol:	241.999742
ΔH_f, kcal/mol:	-180.36
Dipole, Da:	8.94
IP(EA), eV:	-9.69(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-hydroxy-1,1-dioxo-2H-pyrido[2,3-e]thiazine-3-carboxylic acid

Drug info:

PubChemData

Smile

CN1C=C(C(=O)C(=C1)C(=O)O)C(=O)NCC2=C(C(=CC=C2)F)Cl

DOS

IR

Vibrations