Geometry & MOs

Info

ID:	368667
PubChem CID:	127329740
Reduced:	SO3N5C15H21 (1)
Stoich.:	AB3C5D15E21 (1)
Weight, g/mol:	342.172562
ΔH_f, kcal/mol:	-32.29
Dipole, Da:	5.24
IP(EA), eV:	-9.59(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]sulfonylmethyl]-5-methyl-1,2-oxazole

Drug info:

PubChemData

Smile

CC1=CC(=NO1)CS(=O)(=O)N2CCCC(C2)C3=NN=C4N3CCC4

DOS

IR

Vibrations