Geometry & MOs

Info

ID:	174626
PubChem CID:	75796548
Reduced:	ClN2O3H17C18 (1)
Stoich.:	AB2C3D17E18 (1)
Weight, g/mol:	294.067428
ΔH_f, kcal/mol:	-88.8
Dipole, Da:	3.19
IP(EA), eV:	-8.8(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-methyl-3-oxo-4H-1,4-benzothiazine-2-carbonyl)amino]propanoic acid

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1NC(=O)C2(C(=O)NC3=C(O2)C=CC(=C3)Cl)C

DOS

IR

Vibrations