Geometry & MOs

Info

ID:	60302
PubChem CID:	26683767
Reduced:	SO3N5H13C17 (1)
Stoich.:	AB3C5D13E17 (1)
Weight, g/mol:	343.087829
ΔH_f, kcal/mol:	11.59
Dipole, Da:	6.79
IP(EA), eV:	-9.23(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-ethoxyphenyl) (2S)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxylate

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)NC2=C(S1)C=CC(=C2)C(=O)OC3=CC=C(C=C3)N4C=NN=N4

DOS

IR

Vibrations