Geometry & MOs

Info

ID:

440589

PubChem CID:

135230586

Reduced:

F2O4N7C32H35 (1)

Stoich.:

A2B4C7D32E35 (1)

Weight, g/mol:

587.240479

ΔHf, kcal/mol:

-79.42

Dipole, Da:

4.55

IP(EA), eV:

 -8.49(-0.7)

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-[4-methyl-5-(3-oxo-2,4-dihydro-1H-pyrido[2,3-b]pyrazin-7-yl)-2-phenylpyrazol-3-yl]urea

Drug info:

PubChemData

Smile

CC1=C(N(N=C1C2=CN=C(C=C2)N3CC(C3)OC)C4=CC=CC=C4)NC(=O)N[C@@H]5CN(O[C@H]5C6=CC(=C(C=C6)F)F)CCOC

DOS

IR

Vibrations