Geometry & MOs

Info

ID:	245458
PubChem CID:	99445041
Reduced:	FSN3O4C20H20 (1)
Stoich.:	ABC3D4E20F20 (1)
Weight, g/mol:	412.125692
ΔH_f, kcal/mol:	-100.39
Dipole, Da:	5.22
IP(EA), eV:	-9.09(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-fluorophenyl)-N-(furan-2-ylmethyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NO1)NC(=O)[C@@H](C)SCC(=O)N(CC2=CC=CO2)C3=CC=CC=C3F

DOS

IR

Vibrations