Geometry & MOs

Info

ID:	352399
PubChem CID:	127283486
Reduced:	N2S2O3C13H18 (1)
Stoich.:	A2B2C3D13E18 (1)
Weight, g/mol:	397.193632
ΔH_f, kcal/mol:	-106.9
Dipole, Da:	6.02
IP(EA), eV:	-9.12(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1,6-di(propan-2-yl)pyrazolo[3,4-b]pyridin-4-yl]-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

C1CCN(C(C1)C2=NC=CS2)C(=O)C3CCS(=O)(=O)C3

DOS

IR

Vibrations