Geometry & MOs

Info

ID:

440598

PubChem CID:

135230595

Reduced:

F3O4N7C30H30 (1)

Stoich.:

A3B4C7D30E30 (1)

Weight, g/mol:

511.234331

ΔHf, kcal/mol:

-154.31

Dipole, Da:

2.39

IP(EA), eV:

 -9.03(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[5-[[(4R,5S)-2-(2-fluoroethyl)-5-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=C1C2=CC(=C(N=C2)OC)C(=O)NC)C3=CC=CC=C3)NC(=O)N[C@@H]4CN(O[C@H]4C5=CC(=C(C=C5)F)F)CCF

DOS

IR

Vibrations