Geometry & MOs

Info

ID:	361622
PubChem CID:	127303905
Reduced:	SO2N5C18H29 (1)
Stoich.:	AB2C5D18E29 (1)
Weight, g/mol:	369.183461
ΔH_f, kcal/mol:	-70.32
Dipole, Da:	8.86
IP(EA), eV:	-9.27(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC(=O)N1CSCC1C(=O)N2CCCC(C2)C3=NN=CN3C(C)C

DOS

IR

Vibrations