Geometry & MOs

Info

ID:	23953
PubChem CID:	607195
Reduced:	NSO5C11H11 (1)
Stoich.:	ABC5D11E11 (1)
Weight, g/mol:	269.035794
ΔH_f, kcal/mol:	-174.41
Dipole, Da:	3.37
IP(EA), eV:	-10.42(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetate

Drug info:

PubChemData

Smile

CCOC(=O)CN1C(=O)C2=CC=CC=C2S1(=O)=O

DOS

IR

Vibrations