Geometry & MOs

Info

ID:	137404
PubChem CID:	52204152
Reduced:	SO2N3C17H21 (1)
Stoich.:	AB2C3D17E21 (1)
Weight, g/mol:	416.202382
ΔH_f, kcal/mol:	-36.54
Dipole, Da:	1.46
IP(EA), eV:	-8.05(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[6-(diethylamino)pyridin-3-yl]-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C1=NC=C(C=C1)NC(=O)CCC(=O)C2=CC=CS2

DOS

IR

Vibrations