Geometry & MOs

Info

ID:	442348
PubChem CID:	135251490
Reduced:	ClOH2N2F3C7 (1)
Stoich.:	ABC2D2E3F7 (1)
Weight, g/mol:	507.241645
ΔH_f, kcal/mol:	-149.39
Dipole, Da:	3.66
IP(EA), eV:	-10.25(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-morpholin-4-yl-5-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl)-6-piperidin-1-ylpyridine-2-carboxamide

Drug info:

PubChemData

Smile

C1=C(C=NC(=C1Cl)C(F)(F)F)N=C=O

DOS

IR

Vibrations