Geometry & MOs

Info

ID:	315187
PubChem CID:	126624830
Reduced:	NC19H37 (1)
Stoich.:	AB19C37 (1)
Weight, g/mol:	549.132366
ΔH_f, kcal/mol:	-66.65
Dipole, Da:	1.51
IP(EA), eV:	-8.43(2.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-methylphosphanyl-3-[[(3R)-piperidin-3-yl]amino]pyrazolo[3,4-b]pyridin-4-yl]oxy-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide

Drug info:

PubChemData

Smile

CCCCC(C)(C)C1CCN(C1)C2CCCCCCC2

DOS

IR

Vibrations