Geometry & MOs

Info

ID:

437427

PubChem CID:

135226290

Reduced:

SF2O4N6C31H34 (1)

Stoich.:

AB2C4D6E31F34 (1)

Weight, g/mol:

568.234665

ΔHf, kcal/mol:

-144.48

Dipole, Da:

4.38

IP(EA), eV:

 -8.06(-0.47)

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-(1,5-naphthyridin-3-yl)-2-phenylpyrazol-3-yl]urea

Drug info:

PubChemData

Smile

CC1=C(N(N=C1C2=CN=C(C=C2)N=S(=O)(C)C)C3=CC=CC=C3)NC(=O)N[C@@H]4C[C@H](O[C@H]4C5=CC(=C(C=C5)F)F)CCOC

DOS

IR

Vibrations