Geometry & MOs

Info

ID:	56342
PubChem CID:	17425133
Reduced:	N2O2C17H22 (1)
Stoich.:	A2B2C17D22 (1)
Weight, g/mol:	268.051778
ΔH_f, kcal/mol:	-93.4
Dipole, Da:	3.33
IP(EA), eV:	-9.26(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]acetate

Drug info:

PubChemData

Smile

CC1CCCCC12C(=O)N(C(=O)N2)CC3=CC=CC(=C3)C

DOS

IR

Vibrations