Geometry & MOs

Info

ID:	319342
PubChem CID:	126655696
Reduced:	NSO4C15H19 (1)
Stoich.:	ABC4D15E19 (1)
Weight, g/mol:	341.093309
ΔH_f, kcal/mol:	-172.09
Dipole, Da:	1.14
IP(EA), eV:	-8.66(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-O-tert-butyl 6-O-methyl 1,1-dioxo-2,3-dihydro-1lambda6,4-benzothiazine-4,6-dicarboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCSC2=C1C=C(C=C2)C(=O)OC

DOS

IR

Vibrations