Geometry & MOs

Info

ID:

440407

PubChem CID:

135230384

Reduced:

FO3N8C29H29 (1)

Stoich.:

AB3C8D29E29 (1)

Weight, g/mol:

592.235808

ΔHf, kcal/mol:

19.94

Dipole, Da:

10.03

IP(EA), eV:

 -8.79(-0.87)

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]-3-methylpyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(N(N=C1C2=CC3=NC=CN3C=C2)C4=CC=CC=C4)NC(=O)N[C@@H]5CN(O[C@H]5C6=CC(=NC=C6)F)CCOC

DOS

IR

Vibrations