Geometry & MOs

Info

ID:

440443

PubChem CID:

135230420

Reduced:

FO4N8C29H31 (1)

Stoich.:

AB4C8D29E31 (1)

Weight, g/mol:

594.190607

ΔHf, kcal/mol:

-36.94

Dipole, Da:

10.88

IP(EA), eV:

 -8.62(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-chloro-5-[5-[[(4R,5S)-5-(2-fluoropyridin-4-yl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(N(N=C1C2=CC3=C(N=C2)OCCN3)C4=CC=CC=C4)NC(=O)N[C@@H]5CN(O[C@H]5C6=CC(=NC=C6)F)CCOC

DOS

IR

Vibrations