Geometry & MOs

Info

ID:	60312
PubChem CID:	26683781
Reduced:	SN3O6H17C23 (1)
Stoich.:	AB3C6D17E23 (1)
Weight, g/mol:	496.00924
ΔH_f, kcal/mol:	-92.04
Dipole, Da:	3.02
IP(EA), eV:	-9.03(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(2-bromobenzoyl)amino]phenyl] (2R)-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)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

DOS

IR

Vibrations