Geometry & MOs

Info

ID:	73493
PubChem CID:	48417917
Reduced:	FSO2N3C20H20 (1)
Stoich.:	ABC2D3E20F20 (1)
Weight, g/mol:	369.131112
ΔH_f, kcal/mol:	-58.14
Dipole, Da:	3.85
IP(EA), eV:	-8.52(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-2-(2-fluorophenyl)acetamide

Drug info:

PubChemData

Smile

C1CN(CCC1NC(=O)COC2=CC=CC=C2F)C3=NC4=CC=CC=C4S3

DOS

IR

Vibrations