Geometry & MOs

Info

ID:	73501
PubChem CID:	48417933
Reduced:	OSN4H18C20 (1)
Stoich.:	ABC4D18E20 (1)
Weight, g/mol:	369.131112
ΔH_f, kcal/mol:	58.04
Dipole, Da:	3.96
IP(EA), eV:	-8.75(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CCC1NC(=O)C2=CC=CC(=C2)C#N)C3=NC4=CC=CC=C4S3

DOS

IR

Vibrations