Geometry & MOs

Info

ID:	125533
PubChem CID:	50927977
Reduced:	FSN2O4H17C18 (1)
Stoich.:	ABC2D4E17F18 (1)
Weight, g/mol:	405.068237
ΔH_f, kcal/mol:	-142.21
Dipole, Da:	12.8
IP(EA), eV:	-8.95(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-(4-ethoxycarbonylphenyl)-7-fluoro-1,1-dioxo-1lambda6,4-benzothiazine-2-carboxylate

Drug info:

PubChemData

Smile

CN(C)C1=CC=C(C=C1)N2C=C(S(=O)(=O)C3=C2C=CC(=C3)F)C(=O)OC

DOS

IR

Vibrations