Geometry & MOs

Info

ID:	60313
PubChem CID:	26683783
Reduced:	BrSN2O4H17C23 (1)
Stoich.:	ABC2D4E17F23 (1)
Weight, g/mol:	452.059756
ΔH_f, kcal/mol:	-89.9
Dipole, Da:	4.11
IP(EA), eV:	-8.74(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(2-chlorobenzoyl)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=C4Br

DOS

IR

Vibrations