Geometry & MOs

Info

ID:	315169
PubChem CID:	126624745
Reduced:	BrOPF3N4H13C19 (1)
Stoich.:	ABCD3E4F13G19 (1)
Weight, g/mol:	495.160631
ΔH_f, kcal/mol:	-87.06
Dipole, Da:	3.61
IP(EA), eV:	-9.04(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CPN1C2=NC=CC(=C2C(=N1)Br)OC3=CC=C(C=C3)C4=NC=CC(=C4)C(F)(F)F

DOS

IR

Vibrations