Geometry & MOs

Info

ID:	360763
PubChem CID:	127301408
Reduced:	SN2O3C11H18 (1)
Stoich.:	AB2C3D11E18 (1)
Weight, g/mol:	322.109962
ΔH_f, kcal/mol:	-89.13
Dipole, Da:	4.29
IP(EA), eV:	-9.82(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-5-[(4-pyridin-2-ylpiperazin-1-yl)sulfonylmethyl]-1,2-oxazole

Drug info:

PubChemData

Smile

CC1CCN(CC1)S(=O)(=O)CC2=CC(=NO2)C

DOS

IR

Vibrations