Geometry & MOs

Info

ID:	359431
PubChem CID:	127298568
Reduced:	SN3O5C17H23 (1)
Stoich.:	AB3C5D17E23 (1)
Weight, g/mol:	293.131031
ΔH_f, kcal/mol:	-173.66
Dipole, Da:	4.59
IP(EA), eV:	-8.86(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-5-[[4-[(4-methyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

C1COCC1CN2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCC(=O)N4

DOS

IR

Vibrations