Geometry & MOs

Info

ID:

440648

PubChem CID:

135230747

Reduced:

O2F5N8H27C30 (1)

Stoich.:

A2B5C8D27E30 (1)

Weight, g/mol:

636.250789

ΔHf, kcal/mol:

-150.7

Dipole, Da:

2.84

IP(EA), eV:

 -8.97(-0.89)

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]-2-methoxypyridin-3-yl]methyl acetate

Drug info:

PubChemData

Smile

CC1=C(N(N=C1C2=CN=C3C(=C2)C=NN3C)C4=CC=CC=C4)NC(=O)N[C@@H]5CN(O[C@H]5C6=CC(=C(C=C6)F)F)CCC(F)(F)F

DOS

IR

Vibrations