Geometry & MOs

Info

ID:

440491

PubChem CID:

135230477

Reduced:

F2O3N6C28H34 (1)

Stoich.:

A2B3C6D28E34 (1)

Weight, g/mol:

557.218681

ΔHf, kcal/mol:

-97.87

Dipole, Da:

2.78

IP(EA), eV:

 -8.59(-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-(5-furo[2,3-b]pyridin-5-yl-4-methyl-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)OCC5CCNCC5)C

DOS

IR

Vibrations