Geometry & MOs

Info

ID:

440342

PubChem CID:

135230299

Reduced:

ClSO2N8C20H23 (1)

Stoich.:

ABC2D8E20F23 (1)

Weight, g/mol:

571.245564

ΔHf, kcal/mol:

45.6

Dipole, Da:

3.88

IP(EA), eV:

 -8.85(-1.23)

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-(3-methylimidazo[4,5-b]pyridin-6-yl)-2-phenylpyrazol-3-yl]urea

Drug info:

PubChemData

Smile

CC(C)(C)OC(NC1=CC=CC(=N1)CSC2=NC3=C(N2C4=NN=NN4C)C=CC=C3Cl)O

DOS

IR

Vibrations