Geometry & MOs

Info

ID:

440605

PubChem CID:

135230619

Reduced:

FO5N7C29H32 (1)

Stoich.:

AB5C7D29E32 (1)

Weight, g/mol:

592.235808

ΔHf, kcal/mol:

-80.6

Dipole, Da:

8.41

IP(EA), eV:

 -8.82(-0.72)

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]-N-methylpyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(N(N=C1OCC2=NC=CC(=C2)OC)C3=CC=CC=C3)NC(=O)N[C@@H]4CN(O[C@H]4C5=CC(=NC=C5)F)CCOC

DOS

IR

Vibrations