Geometry & MOs

Info

ID:	67648
PubChem CID:	46506897
Reduced:	SN2O4H14C17 (1)
Stoich.:	AB2C4D14E17 (1)
Weight, g/mol:	437.109707
ΔH_f, kcal/mol:	-48.44
Dipole, Da:	7.14
IP(EA), eV:	-9.37(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-ethylphenyl)-[7-fluoro-4-(4-methoxyphenyl)-1,1-dioxo-1lambda6,4-benzothiazin-2-yl]methanone

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=C(ON=C2)NC(=O)CS(=O)(=O)C3=CC=CC=C3

DOS

IR

Vibrations