Geometry & MOs

Info

ID:

440546

PubChem CID:

135230543

Reduced:

F3O5N7C31H32 (1)

Stoich.:

A3B5C7D31E32 (1)

Weight, g/mol:

589.236142

ΔHf, kcal/mol:

-193.58

Dipole, Da:

5.38

IP(EA), eV:

 -9.04(-0.97)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-(4-fluorophenyl)-4-methyl-5-(1-methylpyrazolo[3,4-b]pyridin-5-yl)pyrazol-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=CC(=C(N=C2)OC)C(=O)NC)C3=CC=C(C=C3)F)NC(=O)N[C@@H]4CN(O[C@H]4C5=CC(=C(C=C5)F)F)CCOC

DOS

IR

Vibrations