Geometry & MOs

Info

ID:

440438

PubChem CID:

135230415

Reduced:

F2O3N7C22H25 (1)

Stoich.:

A2B3C7D22E25 (1)

Weight, g/mol:

602.27653

ΔHf, kcal/mol:

-90.0

Dipole, Da:

7.66

IP(EA), eV:

 -9.04(-0.85)

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-(oxan-4-yl)pyrimidin-5-yl]-2-phenylpyrazol-3-yl]urea

Drug info:

PubChemData

Smile

C[C@H]1[C@@H](CN(O1)CC(F)F)NC(=O)NC2=C(C(=NN2C3=CC=CC=C3)C4=CN=C(N=C4)OC)C

DOS

IR

Vibrations