Geometry & MOs

Info

ID:	121871
PubChem CID:	50784671
Reduced:	SN3O3C17H19 (1)
Stoich.:	AB3C3D17E19 (1)
Weight, g/mol:	358.109962
ΔH_f, kcal/mol:	-44.08
Dipole, Da:	8.52
IP(EA), eV:	-8.62(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-phenyl-4-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperazine

Drug info:

PubChemData

Smile

CCC1=CC(=CC=C1)NS(=O)(=O)C2=CC=C(O2)C3=NNC(=C3C)C

DOS

IR

Vibrations