Geometry & MOs

Info

ID:	370687
PubChem CID:	127339876
Reduced:	ON6C22H28 (1)
Stoich.:	AB6C22D28 (1)
Weight, g/mol:	388.156912
ΔH_f, kcal/mol:	60.72
Dipole, Da:	4.05
IP(EA), eV:	-9.33(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC(C)N1C2=C(C=N1)C(=CC(=N2)C3CC3)C(=O)N4CCC(CC4)C5=CC=NN5C

DOS

IR

Vibrations