Geometry & MOs

Info

ID:

440612

PubChem CID:

135230626

Reduced:

F2O5N6C28H34 (1)

Stoich.:

A2B5C6D28E34 (1)

Weight, g/mol:

588.240893

ΔHf, kcal/mol:

-190.3

Dipole, Da:

2.3

IP(EA), eV:

 -8.62(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[(4R,5S)-5-(3,4-difluorophenyl)-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

CCN1C[C@H]([C@@H](O1)C2=CC(=C(C=C2)F)F)NC(=O)NC3=C(C(=NN3C4=CC=CC=C4)OCCCC(=O)NCCO)C

DOS

IR

Vibrations