Geometry & MOs

Info

ID:

440333

PubChem CID:

135230280

Reduced:

N3O4H27C28 (1)

Stoich.:

A3B4C27D28 (1)

Weight, g/mol:

608.230722

ΔHf, kcal/mol:

-70.83

Dipole, Da:

2.42

IP(EA), eV:

 -9.15(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[5-[[(4R,5S)-5-(5,6-difluoropyridin-3-yl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-2-methoxypyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(N(N=C1C2=CC=C(C=C2)C(=O)OC(C)(C)C)C3=CC=CC=C3)NC(=O)OC4=CC=CC=C4

DOS

IR

Vibrations