Geometry & MOs

Info

ID:	136260
PubChem CID:	52008939
Reduced:	ClSO2N3C21H22 (1)
Stoich.:	ABC2D3E21F22 (1)
Weight, g/mol:	278.108899
ΔH_f, kcal/mol:	-43.96
Dipole, Da:	4.96
IP(EA), eV:	-8.81(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2,4-dimethyl-3-oxo-N-propyl-1,4-benzothiazine-2-carboxamide

Drug info:

PubChemData

Smile

C[C@]1(C(=O)NC2=CC=CC=C2S1)C(=O)N3CCN(CC3)CC4=CC=CC=C4Cl

DOS

IR

Vibrations