Geometry & MOs

Info

ID:

440408

PubChem CID:

135230385

Reduced:

F2O4N8C29H30 (1)

Stoich.:

A2B4C8D29E30 (1)

Weight, g/mol:

521.198694

ΔHf, kcal/mol:

-106.6

Dipole, Da:

5.7

IP(EA), eV:

 -9.36(-1.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CN=C1C(=O)N)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