Geometry & MOs

Info

ID:	39719
PubChem CID:	8142036
Reduced:	SN2O3C17H20 (1)
Stoich.:	AB2C3D17E20 (1)
Weight, g/mol:	320.099477
ΔH_f, kcal/mol:	-72.24
Dipole, Da:	4.15
IP(EA), eV:	-8.36(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-fluorophenoxy)-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)COC3=CC=CC=C3OC

DOS

IR

Vibrations