Geometry & MOs

Info

ID:

440376

PubChem CID:

135230335

Reduced:

F2O3N6C29H30 (1)

Stoich.:

A2B3C6D29E30 (1)

Weight, g/mol:

589.236142

ΔHf, kcal/mol:

-79.83

Dipole, Da:

8.1

IP(EA), eV:

 -9.09(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[(4R,5S)-5-(5,6-difluoropyridin-3-yl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-3-[4-methyl-5-(1-methylpyrazolo[3,4-b]pyridin-5-yl)-2-phenylpyrazol-3-yl]urea

Drug info:

PubChemData

Smile

CC1=NC=C(C=C1)C2=NN(C(=C2C)NC(=O)N[C@@H]3CN(O[C@H]3C4=CC(=C(C=C4)F)F)CCOC)C5=CC=CC=C5

DOS

IR

Vibrations