Geometry & MOs

Info

ID:	361613
PubChem CID:	127303879
Reduced:	ON5C13H23 (1)
Stoich.:	AB5C13D23 (1)
Weight, g/mol:	355.167811
ΔH_f, kcal/mol:	-13.69
Dipole, Da:	10.51
IP(EA), eV:	-8.65(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,1-dioxo-1,2-thiazolidin-2-yl)-1-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC(C)N1C=NN=C1C2CCCN(C2)C(=O)N(C)C

DOS

IR

Vibrations