Geometry & MOs

Info

ID:

440386

PubChem CID:

135230345

Reduced:

FO5N8C31H35 (1)

Stoich.:

AB5C8D31E35 (1)

Weight, g/mol:

535.214344

ΔHf, kcal/mol:

-104.14

Dipole, Da:

8.3

IP(EA), eV:

 -8.98(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[(4R,5S)-5-(3,4-difluorophenyl)-2-ethyl-1,2-oxazolidin-4-yl]-3-[5-(2-methoxypyrimidin-5-yl)-4-methyl-2-phenylpyrazol-3-yl]urea

Drug info:

PubChemData

Smile

CCNC(=O)C1=C(N=CC(=C1)C2=NN(C(=C2C)NC(=O)N[C@@H]3CN(O[C@H]3C4=CC(=NC=C4)F)CCOC)C5=CC=CC=C5)OC

DOS

IR

Vibrations