Geometry & MOs

Info

ID:	360769
PubChem CID:	127301414
Reduced:	SN3O3C13H17 (1)
Stoich.:	AB3C3D13E17 (1)
Weight, g/mol:	351.125277
ΔH_f, kcal/mol:	-44.5
Dipole, Da:	4.17
IP(EA), eV:	-8.83(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1C2=CC=CN2CCN1S(=O)(=O)CC3=CC(=NO3)C

DOS

IR

Vibrations