Geometry & MOs

Info

ID:	315170
PubChem CID:	126624747
Reduced:	PSO2N7C23H26 (1)
Stoich.:	ABC2D7E23F26 (1)
Weight, g/mol:	452.99902
ΔH_f, kcal/mol:	23.06
Dipole, Da:	1.29
IP(EA), eV:	-8.54(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-bromo-4-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenoxy]pyrazolo[3,4-b]pyridin-1-yl]-methylphosphane

Drug info:

PubChemData

Smile

CC1=CN=C(S1)NC(=O)C2=CC(=CC=C2)OC3=C4C(=NN(C4=NC=C3)PC)NC5CCCNC5

DOS

IR

Vibrations