Geometry & MOs

Info

ID:	64645
PubChem CID:	29203749
Reduced:	NO6C21H23 (1)
Stoich.:	AB6C21D23 (1)
Weight, g/mol:	457.130757
ΔH_f, kcal/mol:	-221.75
Dipole, Da:	3.43
IP(EA), eV:	-8.56(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(furan-2-carbonyl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)N2C[C@H](CC2=O)C(=O)OCC3=CC(=C(O3)C)C(=O)OC

DOS

IR

Vibrations