Geometry & MOs

Info

ID:	61020
PubChem CID:	26704389
Reduced:	FNSO5C21H24 (1)
Stoich.:	ABCD5E21F24 (1)
Weight, g/mol:	421.135922
ΔH_f, kcal/mol:	-212.8
Dipole, Da:	4.59
IP(EA), eV:	-8.65(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCOC1=CC=C(C=C1)OC(=O)[C@@H]2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)F

DOS

IR

Vibrations