Geometry & MOs

Info

ID:	60316
PubChem CID:	26683794
Reduced:	NSO7H17C20 (1)
Stoich.:	ABC7D17E20 (1)
Weight, g/mol:	415.072573
ΔH_f, kcal/mol:	-240.68
Dipole, Da:	3.31
IP(EA), eV:	-9.17(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 5-[(2R)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carbonyl]oxybenzene-1,3-dicarboxylate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations