Geometry & MOs

Info

ID:

440582

PubChem CID:

135230579

Reduced:

F2O4N6H28C29 (1)

Stoich.:

A2B4C6D28E29 (1)

Weight, g/mol:

620.267108

ΔHf, kcal/mol:

-89.46

Dipole, Da:

3.44

IP(EA), eV:

 -8.68(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1C[C@H]([C@@H](O1)C2=CC(=C(C=C2)F)F)NC(=O)NC3=C(C(=NN3C4=CC=CC=C4)C5=CC6=C(N=C5)OCCO6)C

DOS

IR

Vibrations