Geometry & MOs

Info

ID:

437486

PubChem CID:

135226411

Reduced:

F2O3N6C28H28 (1)

Stoich.:

A2B3C6D28E28 (1)

Weight, g/mol:

697.324877

ΔHf, kcal/mol:

-60.08

Dipole, Da:

7.53

IP(EA), eV:

 -9.14(-0.81)

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-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazolo[3,4-b]pyridin-5-yl]-2-phenylpyrazol-3-yl]urea

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations