Geometry & MOs

Info

ID:	61019
PubChem CID:	26704382
Reduced:	S2O3N5C19H23 (1)
Stoich.:	A2B3C5D19E23 (1)
Weight, g/mol:	421.135922
ΔH_f, kcal/mol:	-26.29
Dipole, Da:	1.53
IP(EA), eV:	-9.68(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-propoxyphenyl) (3R)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxylate

Drug info:

PubChemData

Smile

CCCCC1=NN=C(S1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

DOS

IR

Vibrations