Geometry & MOs

Info

ID:	269583
PubChem CID:	103618042
Reduced:	OSN3H13C14 (1)
Stoich.:	ABC3D13E14 (1)
Weight, g/mol:	236.061949
ΔH_f, kcal/mol:	27.96
Dipole, Da:	3.66
IP(EA), eV:	-9.1(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-benzothiazol-6-yl)-2-ethoxyacetamide

Drug info:

PubChemData

Smile

C1CCC(C1)(C#N)C(=O)NC2=CC3=C(C=C2)N=CS3

DOS

IR

Vibrations