Geometry & MOs

Info

ID:	319341
PubChem CID:	126655695
Reduced:	NO4C12H13 (1)
Stoich.:	AB4C12D13 (1)
Weight, g/mol:	309.103479
ΔH_f, kcal/mol:	-134.01
Dipole, Da:	2.24
IP(EA), eV:	-8.93(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)C1=CC2=C(C=C1)N(CC(O2)C(=O)O)C

DOS

IR

Vibrations