Geometry & MOs

Info

ID:	61310
PubChem CID:	26708115
Reduced:	ClFSN2O5H20C21 (1)
Stoich.:	ABCD2E5F20G21 (1)
Weight, g/mol:	466.076549
ΔH_f, kcal/mol:	-183.1
Dipole, Da:	4.86
IP(EA), eV:	-9.45(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-chloro-4-cyano-6-ethoxyphenyl) (3S)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxylate

Drug info:

PubChemData

Smile

CCOC1=C(C(=CC(=C1)C#N)Cl)OC(=O)[C@@H]2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)F

DOS

IR

Vibrations