Geometry & MOs

Info

ID:	38051
PubChem CID:	8026650
Reduced:	N2F3O3H17C18 (1)
Stoich.:	A2B3C3D17E18 (1)
Weight, g/mol:	399.125277
ΔH_f, kcal/mol:	-247.58
Dipole, Da:	2.73
IP(EA), eV:	-8.98(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(3-methoxyphenyl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1CC(=O)NC2=CC=CC=C2C(=O)NCC(F)(F)F

DOS

IR

Vibrations