Geometry & MOs

Info

ID:

440651

PubChem CID:

135230773

Reduced:

FO4N11C35H40 (1)

Stoich.:

AB4C11D35E40 (1)

Weight, g/mol:

563.209259

ΔHf, kcal/mol:

-17.54

Dipole, Da:

6.95

IP(EA), eV:

 -8.85(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[5-[[(4R,5S)-5-(3,4-difluorophenyl)-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=C1C2=CC3=C(N=C2)N(C(=N3)C(=O)N4CCN(CC4)C)C)C5=CC=CC=C5)NC(=O)N[C@@H]6CN(O[C@H]6C7=CC(=NC=C7)F)CCOC

DOS

IR

Vibrations