Geometry & MOs

Info

ID:	245667
PubChem CID:	99494728
Reduced:	SN3O3C20H21 (1)
Stoich.:	AB3C3D20E21 (1)
Weight, g/mol:	437.155098
ΔH_f, kcal/mol:	-93.31
Dipole, Da:	3.97
IP(EA), eV:	-8.34(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-fluorobenzoyl)-N-[6-(3-fluorophenoxy)pyridin-3-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)NC1=CC=C(C=C1)NC(=O)C2=C(C3=C(S2)N=C(C=C3C)C)C

DOS

IR

Vibrations