Geometry & MOs

Info

ID:

440391

PubChem CID:

135230350

Reduced:

F2O4N7C27H27 (1)

Stoich.:

A2B4C7D27E27 (1)

Weight, g/mol:

700.274479

ΔHf, kcal/mol:

-78.57

Dipole, Da:

7.92

IP(EA), eV:

 -9.3(-0.91)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[5-[[(4R,5S)-5-(2-fluoropyridin-4-yl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-1-methyl-2-oxo-N-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(N(N=C1OC2=CC(=NC=C2)F)C3=CC=CC=C3)NC(=O)N[C@@H]4CN(O[C@H]4C5=CC(=NC=C5)F)CCOC

DOS

IR

Vibrations