Geometry & MOs

Info

ID:	64625
PubChem CID:	29203424
Reduced:	FSN3O4H12C15 (1)
Stoich.:	ABC3D4E12F15 (1)
Weight, g/mol:	400.101227
ΔH_f, kcal/mol:	-82.42
Dipole, Da:	6.94
IP(EA), eV:	-8.9(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-(2-chlorophenoxy)propan-1-one

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=NS2(=O)=O)NOCC(=O)NC3=CC=CC=C3F

DOS

IR

Vibrations