Geometry & MOs

Info

ID:

440441

PubChem CID:

135230418

Reduced:

F2O5N6C28H34 (1)

Stoich.:

A2B5C6D28E34 (1)

Weight, g/mol:

577.224909

ΔHf, kcal/mol:

-172.52

Dipole, Da:

6.95

IP(EA), eV:

 -8.78(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(N(N=C1OCC2CNCCO2)C3=CC=CC=C3)NC(=O)N[C@@H]4CN(O[C@H]4C5=CC(=C(C=C5)F)F)CCOC

DOS

IR

Vibrations