Geometry & MOs

Info

ID:	360744
PubChem CID:	127301389
Reduced:	SN3O4C16H21 (1)
Stoich.:	AB3C4D16E21 (1)
Weight, g/mol:	273.114713
ΔH_f, kcal/mol:	-77.49
Dipole, Da:	2.54
IP(EA), eV:	-8.89(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NOC(=C1)CS(=O)(=O)N2CCN(CC2)C3=CC=CC=C3OC

DOS

IR

Vibrations