Geometry & MOs

Info

ID:	444338
PubChem CID:	135262107
Reduced:	SO2N4C15H18 (1)
Stoich.:	AB2C4D15E18 (1)
Weight, g/mol:	318.115047
ΔH_f, kcal/mol:	8.41
Dipole, Da:	3.61
IP(EA), eV:	-8.8(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperazin-1-yl]-1,3,4-thiadiazole

Drug info:

PubChemData

Smile

C1CN(CCN1C[C@H]2COC3=CC=CC=C3O2)C4=NN=CS4

DOS

IR

Vibrations