Geometry & MOs

Info

ID:	88579
PubChem CID:	49955509
Reduced:	OSCl2N5C19H22 (1)
Stoich.:	ABC2D5E19F22 (1)
Weight, g/mol:	439.117308
ΔH_f, kcal/mol:	54.09
Dipole, Da:	5.65
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754075
Charge, e:	-1

Chem-info

IUPAC name:

2-[2-methoxy-4-[[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)anilino]methyl]phenoxy]acetamide;chloride

Drug info:

PubChemData

Smile

CN1C(=NN=N1)SCCCNCC2=CC=C(C=C2)OCC3=CC=CC=C3Cl.[Cl-]

DOS

IR

Vibrations