Geometry & MOs

Info

ID:	356105
PubChem CID:	127291141
Reduced:	SF2N3O4C16H21 (1)
Stoich.:	AB2C3D4E16F21 (1)
Weight, g/mol:	353.140927
ΔH_f, kcal/mol:	-242.58
Dipole, Da:	8.78
IP(EA), eV:	-9.21(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(benzenesulfonyl)-N-(oxan-3-yl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

C1CC(COC1)NC(=O)N2CCN(CC2)S(=O)(=O)C3=C(C=CC=C3F)F

DOS

IR

Vibrations