Geometry & MOs

Info

ID:	62476
PubChem CID:	26719771
Reduced:	FN2O3C16H17 (1)
Stoich.:	AB2C3D16E17 (1)
Weight, g/mol:	478.168619
ΔH_f, kcal/mol:	-154.74
Dipole, Da:	3.57
IP(EA), eV:	-9.12(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(diethylsulfamoyl)-2-nitrophenyl]-N-(3-fluorophenyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC1=C(C(=C(N1)C(=O)NC2=CC(=CC=C2)F)C)C(=O)OC

DOS

IR

Vibrations