Geometry & MOs

Info

ID:	39715
PubChem CID:	8142027
Reduced:	SN3O4C16H17 (1)
Stoich.:	AB3C4D16E17 (1)
Weight, g/mol:	330.140199
ΔH_f, kcal/mol:	-44.49
Dipole, Da:	9.06
IP(EA), eV:	-9.04(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-dimethylphenoxy)-N-[(6R)-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)C3=CC(=C(C=C3)OC)[N+](=O)[O-]

DOS

IR

Vibrations