Geometry & MOs

Info

ID:	142802
PubChem CID:	53093673
Reduced:	ClN2O3C19H19 (1)
Stoich.:	AB2C3D19E19 (1)
Weight, g/mol:	347.062757
ΔH_f, kcal/mol:	-85.77
Dipole, Da:	5.5
IP(EA), eV:	-8.68(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 6-fluoro-4-(4-methylphenyl)-1,1-dioxo-1lambda6,4-benzothiazine-2-carboxylate

Drug info:

PubChemData

Smile

COCC(=O)NCC1=CC2=C(C=C1)N(CC2)C(=O)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations