Geometry & MOs

Info

ID:

440511

PubChem CID:

135230497

Reduced:

F2O5N6C31H38 (1)

Stoich.:

A2B5C6D31E38 (1)

Weight, g/mol:

591.240559

ΔHf, kcal/mol:

-188.45

Dipole, Da:

4.75

IP(EA), eV:

 -8.97(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[5-[[(4R,5S)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-N-methylpyridine-2-carboxamide

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)OCC5CCN(CC5)C(=O)COC)C

DOS

IR

Vibrations