Geometry & MOs

Info

ID:

440502

PubChem CID:

135230488

Reduced:

F2O4N6C27H32 (1)

Stoich.:

A2B4C6D27E32 (1)

Weight, g/mol:

572.22958

ΔHf, kcal/mol:

-131.49

Dipole, Da:

2.9

IP(EA), eV:

 -8.74(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[(4R,5S)-5-(2-fluoropyridin-4-yl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-3-[4-methyl-5-(2-methyl-[1,3]oxazolo[5,4-b]pyridin-6-yl)-2-phenylpyrazol-3-yl]urea

Drug info:

PubChemData

Smile

CCN1C[C@H]([C@@H](O1)C2=CC(=C(C=C2)F)F)NC(=O)NC3=C(C(=NN3C4=CC=CC=C4)OCC5CNCCO5)C

DOS

IR

Vibrations