Geometry & MOs

Info

ID:	370716
PubChem CID:	127339979
Reduced:	ON6C21H26 (1)
Stoich.:	AB6C21D26 (1)
Weight, g/mol:	374.141262
ΔH_f, kcal/mol:	62.04
Dipole, Da:	4.27
IP(EA), eV:	-9.3(-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-(1H-pyrazol-5-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=NN5

DOS

IR

Vibrations