Geometry & MOs

Info

ID:

440367

PubChem CID:

135230326

Reduced:

F2O4N8C27H28 (1)

Stoich.:

A2B4C8D27E28 (1)

Weight, g/mol:

660.282009

ΔHf, kcal/mol:

-75.0

Dipole, Da:

10.79

IP(EA), eV:

 -9.16(-0.85)

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]-2-methoxy-N-[(3R)-oxolan-3-yl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations