Geometry & MOs

Info

ID:	61499
PubChem CID:	26710004
Reduced:	ClFSN2O5C22H24 (1)
Stoich.:	ABCD2E5F22G24 (1)
Weight, g/mol:	316.142307
ΔH_f, kcal/mol:	-225.59
Dipole, Da:	3.08
IP(EA), eV:	-8.96(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (3S)-1-[2-(4-cyanophenoxy)acetyl]piperidine-3-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)[C@@H]1CCCN(C1)C(=O)C2=C(C=CC(=C2)S(=O)(=O)N(C)C3=CC=C(C=C3)F)Cl

DOS

IR

Vibrations