Geometry & MOs

Info

ID:	360740
PubChem CID:	127301385
Reduced:	SN2O3C11H18 (1)
Stoich.:	AB2C3D11E18 (1)
Weight, g/mol:	259.099063
ΔH_f, kcal/mol:	-81.85
Dipole, Da:	4.82
IP(EA), eV:	-9.78(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NOC(=C1)CS(=O)(=O)N2CCCCCC2

DOS

IR

Vibrations