Geometry & MOs

Info

ID:

440482

PubChem CID:

135230468

Reduced:

F2O3N6C30H38 (1)

Stoich.:

A2B3C6D30E38 (1)

Weight, g/mol:

579.220572

ΔHf, kcal/mol:

-110.61

Dipole, Da:

6.18

IP(EA), eV:

 -8.6(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1CCC(CC1)COC2=NN(C(=C2C)NC(=O)N[C@@H]3CN(O[C@H]3C4=CC(=C(C=C4)F)F)CC)C5=CC=CC=C5

DOS

IR

Vibrations