Geometry & MOs

Info

ID:

440625

PubChem CID:

135230641

Reduced:

F2O3N7C28H29 (1)

Stoich.:

A2B3C7D28E29 (1)

Weight, g/mol:

585.261214

ΔHf, kcal/mol:

-59.55

Dipole, Da:

8.66

IP(EA), eV:

 -9.17(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations