Geometry & MOs

Info

ID:

440417

PubChem CID:

135230394

Reduced:

F2O6N8C31H34 (1)

Stoich.:

A2B6C8D31E34 (1)

Weight, g/mol:

610.226386

ΔHf, kcal/mol:

-145.68

Dipole, Da:

9.26

IP(EA), eV:

 -9.2(-0.97)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[5-[[(4R,5S)-5-(5,6-difluoropyridin-3-yl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-3-fluoro-N-methylpyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(N(N=C1C2=CC(=C(N=C2)OC)C(=O)NOCCF)C3=CC=CC=C3)NC(=O)N[C@@H]4CN(O[C@H]4C5=CC(=NC=C5)F)CCOC

DOS

IR

Vibrations