Geometry & MOs

Info

ID:

440394

PubChem CID:

135230353

Reduced:

F2O3N7C28H29 (1)

Stoich.:

A2B3C7D28E29 (1)

Weight, g/mol:

628.267028

ΔHf, kcal/mol:

-60.65

Dipole, Da:

4.47

IP(EA), eV:

 -9.22(-0.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[5-[[(4R,5S)-5-(2-fluoropyridin-4-yl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-N,3-dimethylimidazo[4,5-b]pyridine-2-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(C=C5)F)F)C(C)C

DOS

IR

Vibrations