Geometry & MOs

Info

ID:	370735
PubChem CID:	127340062
Reduced:	ON4C21H22 (1)
Stoich.:	AB4C21D22 (1)
Weight, g/mol:	370.146347
ΔH_f, kcal/mol:	30.67
Dipole, Da:	3.43
IP(EA), eV:	-9.38(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-benzoyl-1,3-thiazolidin-4-yl)-[4-(1H-pyrazol-5-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

C1CC2=C(C3=CC=CC=C3N=C2C1)C(=O)N4CCC(CC4)C5=CC=NN5

DOS

IR

Vibrations