Geometry & MOs

Info

ID:	121872
PubChem CID:	50784748
Reduced:	SO3N4C17H18 (1)
Stoich.:	AB3C4D17E18 (1)
Weight, g/mol:	466.087782
ΔH_f, kcal/mol:	-5.25
Dipole, Da:	3.71
IP(EA), eV:	-8.6(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-chloro-4-fluorophenyl)methyl]-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidine-4-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCN1C2=CC=CC=C2)S(=O)(=O)C3=CC=C(O3)C4=CC=NN4

DOS

IR

Vibrations