Geometry & MOs

Info

ID:	158817
PubChem CID:	56479388
Reduced:	ClSN3O3C19H22 (1)
Stoich.:	ABC3D3E19F22 (1)
Weight, g/mol:	469.178376
ΔH_f, kcal/mol:	-77.47
Dipole, Da:	5.57
IP(EA), eV:	-8.55(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methoxyphenyl)sulfonyl-N-[1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CN1CCN(CC2=CC=CC=C21)C(=O)CCNS(=O)(=O)C3=CC=CC=C3Cl

DOS

IR

Vibrations