Geometry & MOs

Info

ID:	131958
PubChem CID:	51284418
Reduced:	ClNO4C17H18 (1)
Stoich.:	ABC4D17E18 (1)
Weight, g/mol:	399.071134
ΔH_f, kcal/mol:	-129.61
Dipole, Da:	6.3
IP(EA), eV:	-8.65(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide

Drug info:

PubChemData

Smile

CCCOC1=C(C=C(C=C1Cl)C(=O)NC2=CC=CC=C2O)OC

DOS

IR

Vibrations