Geometry & MOs

Info

ID:

440559

PubChem CID:

135230556

Reduced:

ClO3N9C62H88 (1)

Stoich.:

AB3C9D62E88 (1)

Weight, g/mol:

591.235393

ΔHf, kcal/mol:

-24.83

Dipole, Da:

3.91

IP(EA), eV:

 -8.8(-0.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[5-[[(4R,5S)-5-(2-fluoropyridin-4-yl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-2-methyl-3-oxopyridazine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2CCC(CC2)C(C)N3C(=CC(=N3)CNC)OCC4CC=CC=C4Cl)COC5=CC(=NN5C(C)C6CCC(CC6)C7=CC(=CC(=C7)COC8=CC(=NN8C(C)C9CCCCC9)CNC)C)CNC

DOS

IR

Vibrations