Geometry & MOs

Info

ID:

440505

PubChem CID:

135230491

Reduced:

FO4N6C30H37 (1)

Stoich.:

AB4C6D30E37 (1)

Weight, g/mol:

586.271525

ΔHf, kcal/mol:

-107.22

Dipole, Da:

3.38

IP(EA), eV:

 -8.65(-0.47)

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-[(4-methylmorpholin-2-yl)methoxy]-2-phenylpyrazol-3-yl]urea

Drug info:

PubChemData

Smile

CCN1C[C@H]([C@@H](O1)C2=CC=C(C=C2)F)NC(=O)NC3=C(C(=NN3C4=CC=CC=C4)OCC5CCN(CC5)C(=O)C)C

DOS

IR

Vibrations