Geometry & MOs

Info

ID:	444321
PubChem CID:	135262074
Reduced:	SO2N7C19H21 (1)
Stoich.:	AB2C7D19E21 (1)
Weight, g/mol:	416.16306
ΔH_f, kcal/mol:	62.58
Dipole, Da:	3.73
IP(EA), eV:	-8.73(-1.01)
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]-3-methylimidazolidin-2-one

Drug info:

PubChemData

Smile

C1CN(CCN1CC2COC3=CC=CC=C3O2)C4=NSN=C4NC5=NC=NC=C5

DOS

IR

Vibrations