Geometry & MOs

Info

ID:

440446

PubChem CID:

135230423

Reduced:

FO3N6C28H35 (1)

Stoich.:

AB3C6D28E35 (1)

Weight, g/mol:

592.272193

ΔHf, kcal/mol:

-54.19

Dipole, Da:

3.23

IP(EA), eV:

 -8.6(-0.58)

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-[5-[2-[(dimethylamino)methyl]pyrimidin-5-yl]-4-methyl-2-phenylpyrazol-3-yl]urea

Drug info:

PubChemData

Smile

CCN1C[C@H]([C@@H](O1)C2=CC=C(C=C2)F)NC(=O)NC3=C(C(=NN3C4=CC=CC=C4)OCC5CCNCC5)C

DOS

IR

Vibrations