Geometry & MOs

Info

ID:	444322
PubChem CID:	135262075
Reduced:	SO3N6C19H24 (1)
Stoich.:	AB3C6D19E24 (1)
Weight, g/mol:	416.16306
ΔH_f, kcal/mol:	-21.07
Dipole, Da:	5.05
IP(EA), eV:	-8.4(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[4-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperazin-1-yl]-1,2,5-thiadiazol-3-yl]-3-methylimidazolidin-2-one

Drug info:

PubChemData

Smile

CN1CCN(C1=O)C2=NSN=C2N3CCN(CC3)C[C@H]4COC5=CC=CC=C5O4

DOS

IR

Vibrations