Geometry & MOs

Info

ID:	280232
PubChem CID:	103847888
Reduced:	NOSC5H9 (2)
Stoich.:	ABCD5E9 (2)
Weight, g/mol:	289.055484
ΔH_f, kcal/mol:	-72.37
Dipole, Da:	5.82
IP(EA), eV:	-9.81(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethyl-4-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperazin-2-one

Drug info:

PubChemData

Smile

CCC(CC)CNS(=O)(=O)C1=CN=C(S1)C

DOS

IR

Vibrations