Geometry & MOs

Info

ID:	155359
PubChem CID:	56352955
Reduced:	ClSO3N5C20H20 (1)
Stoich.:	ABC3D5E20F20 (1)
Weight, g/mol:	437.128838
ΔH_f, kcal/mol:	-30.23
Dipole, Da:	2.79
IP(EA), eV:	-9.23(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

C1CN(CCC1N2C=NC=N2)C(=O)C3=CC=CC=C3NS(=O)(=O)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations