Geometry & MOs

Info

ID:

440650

PubChem CID:

135230755

Reduced:

F2O5N7C31H33 (1)

Stoich.:

A2B5C7D31E33 (1)

Weight, g/mol:

697.324877

ΔHf, kcal/mol:

-146.75

Dipole, Da:

5.91

IP(EA), eV:

 -8.99(-0.76)

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-methyl-2-(4-methylpiperazine-1-carbonyl)imidazo[4,5-b]pyridin-6-yl]-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]4CN(O[C@H]4C5=CC(=C(C=C5)F)F)CCOC

DOS

IR

Vibrations