Geometry & MOs

Info

ID:	122874
PubChem CID:	50825006
Reduced:	FSN4O5C23H23 (1)
Stoich.:	ABC4D5E23F23 (1)
Weight, g/mol:	444.183127
ΔH_f, kcal/mol:	-156.21
Dipole, Da:	6.66
IP(EA), eV:	-9.1(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopentyl-1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylpiperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC1=C(C2=NC(=O)CCC(=O)N2N1)C3=CC(=C(C=C3)OC)S(=O)(=O)NC4=C(C=C(C=C4)F)C

DOS

IR

Vibrations