Geometry & MOs

Info

ID:	444282
PubChem CID:	135261951
Reduced:	NSC3O3H6 (2)
Stoich.:	ABC3D3E6 (2)
Weight, g/mol:	360.125612
ΔH_f, kcal/mol:	-222.28
Dipole, Da:	0.0
IP(EA), eV:	-11.61(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[4-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperazin-1-yl]-1,2,5-thiadiazol-3-yl]ethanone

Drug info:

PubChemData

Smile

C1C[N+]2(CC[N+]1(CC2)S(=O)(=O)[O-])S(=O)(=O)[O-]

DOS

IR

Vibrations