Geometry & MOs

Info

ID:

440400

PubChem CID:

135230359

Reduced:

FO2N4C15H16 (2)

Stoich.:

AB2C4D15E16 (2)

Weight, g/mol:

537.213595

ΔHf, kcal/mol:

-106.66

Dipole, Da:

5.87

IP(EA), eV:

 -9.34(-1.13)

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-(1,2-oxazol-3-ylmethoxy)-2-phenylpyrazol-3-yl]urea

Drug info:

PubChemData

Smile

CC1=CC(=CN=C1C(=O)NC)C2=NN(C(=C2C)NC(=O)N[C@@H]3CN(O[C@H]3C4=CC(=C(N=C4)F)F)CCOC)C5=CC=CC=C5

DOS

IR

Vibrations