Geometry & MOs

Info

ID:	135967
PubChem CID:	51960765
Reduced:	FNSO5C17H22 (1)
Stoich.:	ABCD5E17F22 (1)
Weight, g/mol:	371.120272
ΔH_f, kcal/mol:	-259.7
Dipole, Da:	3.56
IP(EA), eV:	-9.84(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (3S)-1-[(2R)-2-(4-fluorophenyl)sulfonylpropanoyl]piperidine-3-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)[C@@H]1CCCN(C1)C(=O)[C@@H](C)S(=O)(=O)C2=CC=C(C=C2)F

DOS

IR

Vibrations