Geometry & MOs

Info

ID:	319343
PubChem CID:	126655697
Reduced:	NSO6C15H19 (1)
Stoich.:	ABC6D15E19 (1)
Weight, g/mol:	409.06538
ΔH_f, kcal/mol:	-249.69
Dipole, Da:	5.39
IP(EA), eV:	-9.57(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[(3-methylsulfonylphenyl)methyl]-1,1-dioxo-2,3-dihydro-1lambda6,4-benzothiazine-6-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCS(=O)(=O)C2=C1C=C(C=C2)C(=O)OC

DOS

IR

Vibrations