Geometry & MOs

Info

ID:

440614

PubChem CID:

135230628

Reduced:

FO2N6C40H55 (1)

Stoich.:

AB2C6D40E55 (1)

Weight, g/mol:

507.295788

ΔHf, kcal/mol:

-42.62

Dipole, Da:

6.82

IP(EA), eV:

 -8.77(-0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[5-[2-[2-(dimethylamino)ethyl]pyridin-4-yl]-4-methyl-2-phenylpyrazol-3-yl]-3-[(4R,5S)-2-(2-methoxyethyl)-5-methyl-1,2-oxazolidin-4-yl]urea

Drug info:

PubChemData

Smile

CC(C1CCCCC1)N2C(=CC(=N2)CNC)OCC3=C(C=CC(=C3)C4CCC(CC4)C(C)N5C(=CC(=N5)CNC)OCC6=CC=CC=C6)F

DOS

IR

Vibrations