Geometry & MOs

Info

ID:	39718
PubChem CID:	8142035
Reduced:	SN2O3C17H20 (1)
Stoich.:	AB2C3D17E20 (1)
Weight, g/mol:	332.119464
ΔH_f, kcal/mol:	-71.25
Dipole, Da:	3.89
IP(EA), eV:	-8.34(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methoxyphenoxy)-N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]acetamide

Drug info:

PubChemData

Smile

C[C@@H]1CCC2=C(C1)SC(=N2)NC(=O)COC3=CC=CC=C3OC

DOS

IR

Vibrations