Geometry & MOs

Info

ID:	360752
PubChem CID:	127301397
Reduced:	SN3O4C11H17 (1)
Stoich.:	AB3C4D11E17 (1)
Weight, g/mol:	339.105291
ΔH_f, kcal/mol:	-117.72
Dipole, Da:	2.73
IP(EA), eV:	-9.44(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NOC(=C1)CS(=O)(=O)N2CCN(CC2)C(=O)C

DOS

IR

Vibrations