Geometry & MOs

Info

ID:	356454
PubChem CID:	127291527
Reduced:	SO2N6C13H20 (1)
Stoich.:	AB2C6D13E20 (1)
Weight, g/mol:	362.141262
ΔH_f, kcal/mol:	-4.28
Dipole, Da:	6.96
IP(EA), eV:	-9.65(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,3-dihydro-2-benzofuran-5-ylsulfonyl)-4-(4-ethyl-1,2,4-triazol-3-yl)piperidine

Drug info:

PubChemData

Smile

CCN1C=NN=C1C2CCN(CC2)S(=O)(=O)C3=CC=NN3C

DOS

IR

Vibrations