Geometry & MOs

Info

ID:

440652

PubChem CID:

135230778

Reduced:

F2O4N7H27C28 (1)

Stoich.:

A2B4C7D27E28 (1)

Weight, g/mol:

592.255794

ΔHf, kcal/mol:

-103.18

Dipole, Da:

3.88

IP(EA), eV:

 -9.0(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[(4R,5S)-5-(2-fluoropyridin-4-yl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-3-[5-[2-(2-methoxyethoxy)pyrimidin-5-yl]-4-methyl-2-phenylpyrazol-3-yl]urea

Drug info:

PubChemData

Smile

CC1=C(N(N=C1C2=CC(=C(N=C2)OC)C(=O)NC)C3=CC=CC=C3)NC(=O)N[C@@H]4CNO[C@H]4C5=CC(=C(C=C5)F)F

DOS

IR

Vibrations