Geometry & MOs

Info

ID:	366733
PubChem CID:	127320262
Reduced:	NS2O5C17H21 (1)
Stoich.:	AB2C5D17E21 (1)
Weight, g/mol:	334.109962
ΔH_f, kcal/mol:	-182.47
Dipole, Da:	9.82
IP(EA), eV:	-9.02(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=C(C2=CC=CC=C21)S(=O)(=O)NC3CCCS(=O)(=O)C3

DOS

IR

Vibrations