Geometry & MOs

Info

ID:	360756
PubChem CID:	127301401
Reduced:	SN2O3C12H20 (1)
Stoich.:	AB2C3D12E20 (1)
Weight, g/mol:	339.105291
ΔH_f, kcal/mol:	-91.7
Dipole, Da:	4.45
IP(EA), eV:	-9.7(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CC(CN(C1)S(=O)(=O)CC2=CC(=NO2)C)C

DOS

IR

Vibrations