Geometry & MOs

Info

ID:

440411

PubChem CID:

135230388

Reduced:

F2O3N5C24H27 (1)

Stoich.:

A2B3C5D24E27 (1)

Weight, g/mol:

564.22966

ΔHf, kcal/mol:

-96.73

Dipole, Da:

3.82

IP(EA), eV:

 -8.53(-0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[(4R,5S)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-3-[4-methyl-5-(1-methyl-6-oxopyridin-3-yl)-2-phenylpyrazol-3-yl]urea

Drug info:

PubChemData

Smile

CCN1C[C@H]([C@@H](O1)C2=CC(=C(C=C2)F)F)NC(=O)NC3=C(C(=NN3C4=CC=CC=C4)OCC)C

DOS

IR

Vibrations