Geometry & MOs

Info

ID:

442313

PubChem CID:

135251282

Reduced:

SN2O5F6C17H24 (1)

Stoich.:

AB2C5D6E17F24 (1)

Weight, g/mol:

490.171316

ΔHf, kcal/mol:

-536.73

Dipole, Da:

8.28

IP(EA), eV:

 -9.98(-0.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(6-aminopyridin-2-yl)-N-[5-(3-hydroxy-2,5-dihydropyrrol-1-yl)-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridin-6-yl]-1,3-oxazole-4-carboxamide

Drug info:

PubChemData

Smile

CN(C1CC2(CCN(CC2)C(=O)OC(C(F)(F)F)C(F)(F)F)OC1)S(=O)(=O)C3CCC3

DOS

IR

Vibrations