Geometry & MOs

Info

ID:	269982
PubChem CID:	103621696
Reduced:	OSN3H11C12 (1)
Stoich.:	ABC3D11E12 (1)
Weight, g/mol:	236.061949
ΔH_f, kcal/mol:	27.43
Dipole, Da:	2.6
IP(EA), eV:	-9.11(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C#N)C(=O)NC1=CC2=C(C=C1)N=CS2

DOS

IR

Vibrations