Geometry & MOs

Info

ID:

440485

PubChem CID:

135230471

Reduced:

F2O3N6C30H38 (1)

Stoich.:

A2B3C6D30E38 (1)

Weight, g/mol:

564.22966

ΔHf, kcal/mol:

-107.5

Dipole, Da:

3.59

IP(EA), eV:

 -8.57(-0.56)

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-methyl-2-oxopyridin-4-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)OCCC5CCN(CC5)C)C

DOS

IR

Vibrations