Geometry & MOs

Info

ID:	140685
PubChem CID:	52741062
Reduced:	FSN3O3C24H32 (1)
Stoich.:	ABC3D3E24F32 (1)
Weight, g/mol:	377.159555
ΔH_f, kcal/mol:	-151.47
Dipole, Da:	3.36
IP(EA), eV:	-8.77(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(2R)-1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propan-2-yl]acetamide

Drug info:

PubChemData

Smile

C[C@H]1C[C@@H](CN(C1)C[C@H](C)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)NC3=CC=CC=C3F)C)C

DOS

IR

Vibrations