Geometry & MOs

Info

ID:	61113
PubChem CID:	26705793
Reduced:	ClFN2O3C20H20 (1)
Stoich.:	ABC2D3E20F20 (1)
Weight, g/mol:	414.124943
ΔH_f, kcal/mol:	-140.65
Dipole, Da:	3.97
IP(EA), eV:	-9.1(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-methoxy-4-methylphenyl) 1-(4-cyanophenyl)sulfonylpiperidine-4-carboxylate

Drug info:

PubChemData

Smile

CCN(CC(=O)NCC1=CC=C(C=C1)F)C(=O)[C@H]2CC3=C(O2)C=CC(=C3)Cl

DOS

IR

Vibrations