Geometry & MOs

Info

ID:	39713
PubChem CID:	8142019
Reduced:	OSCl2N3H13C14 (1)
Stoich.:	ABC2D3E13F14 (1)
Weight, g/mol:	316.124549
ΔH_f, kcal/mol:	-3.07
Dipole, Da:	5.39
IP(EA), eV:	-9.11(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methylphenoxy)-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(N=C3)Cl)Cl

DOS

IR

Vibrations