Geometry & MOs

Info

ID:

440585

PubChem CID:

135230582

Reduced:

F2O3N8C27H30 (1)

Stoich.:

A2B3C8D27E30 (1)

Weight, g/mol:

590.240144

ΔHf, kcal/mol:

-54.58

Dipole, Da:

6.66

IP(EA), eV:

 -9.12(-0.81)

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]-3-methoxypyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(N(N=C1C2=CN=C(N=C2)C)C3=CC=CC=C3)NC(=O)N[C@H]4CN(O[C@@H]4C5CC(=NC(=C5)F)F)CCOC

DOS

IR

Vibrations