Geometry & MOs

Info

ID:

437470

PubChem CID:

135226395

Reduced:

F2O4N9C31H33 (1)

Stoich.:

A2B4C9D31E33 (1)

Weight, g/mol:

572.240813

ΔHf, kcal/mol:

-42.14

Dipole, Da:

9.54

IP(EA), eV:

 -8.78(-0.86)

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-methylpyrazolo[3,4-b]pyrazin-5-yl)-2-phenylpyrazol-3-yl]urea

Drug info:

PubChemData

Smile

CC1=C(N(N=C1C2=CN=C(N=C2)N3CC4(C3)COC4)C5=CC=CC=C5)NC(=O)N[C@@H]6CN(O[C@H]6C7=CC(=C(N=C7)F)F)CCOC

DOS

IR

Vibrations