Geometry & MOs

Info

ID:	60314
PubChem CID:	26683785
Reduced:	ClSN2O4H17C23 (1)
Stoich.:	ABC2D4E17F23 (1)
Weight, g/mol:	418.098728
ΔH_f, kcal/mol:	-97.9
Dipole, Da:	4.07
IP(EA), eV:	-8.77(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-benzamidophenyl) (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=C4Cl

DOS

IR

Vibrations