Geometry & MOs

Info

ID:	61184
PubChem CID:	26706813
Reduced:	FSN3O4C20H22 (1)
Stoich.:	ABC3D4E20F22 (1)
Weight, g/mol:	438.172562
ΔH_f, kcal/mol:	-163.79
Dipole, Da:	5.07
IP(EA), eV:	-9.03(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-cyanophenyl)sulfonyl-N-(2-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CN(CC(=O)NC1=CC=CC=C1C(=O)N2CCCC2)S(=O)(=O)C3=CC=C(C=C3)F

DOS

IR

Vibrations