Geometry & MOs

Info

ID:	360743
PubChem CID:	127301388
Reduced:	SN2O4C11H18 (1)
Stoich.:	AB2C4D11E18 (1)
Weight, g/mol:	351.125277
ΔH_f, kcal/mol:	-124.55
Dipole, Da:	3.54
IP(EA), eV:	-9.75(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylmethyl]-3-methyl-1,2-oxazole

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)S(=O)(=O)CC2=CC(=NO2)C

DOS

IR

Vibrations