Geometry & MOs

Info

ID:	145343
PubChem CID:	53503724
Reduced:	SN3O3C17H21 (1)
Stoich.:	AB3C3D17E21 (1)
Weight, g/mol:	343.121529
ΔH_f, kcal/mol:	-14.51
Dipole, Da:	3.75
IP(EA), eV:	-8.89(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

C1CC1C2=CC(=NO2)C(=O)NCC(C3=CC=CS3)N4CCOCC4

DOS

IR

Vibrations