Geometry & MOs

Info

ID:

440530

PubChem CID:

135230516

Reduced:

I2N4O5C21H22 (1)

Stoich.:

A2B4C5D21E22 (1)

Weight, g/mol:

573.261214

ΔHf, kcal/mol:

-124.5

Dipole, Da:

3.12

IP(EA), eV:

 -9.77(-1.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[5-[2-(cyclopropylamino)pyrimidin-5-yl]-4-methyl-2-phenylpyrazol-3-yl]-3-[(4R,5S)-5-(2-fluoropyridin-4-yl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]urea

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NN(C1=CC=CC(=C1)CNC(=O)I)C(=O)NC(=O)C2=CC=C(C=C2)I

DOS

IR

Vibrations