Geometry & MOs

Info

ID:

440393

PubChem CID:

135230352

Reduced:

ClF2O3N8C32H33 (1)

Stoich.:

AB2C3D8E32F33 (1)

Weight, g/mol:

549.229994

ΔHf, kcal/mol:

-45.31

Dipole, Da:

10.38

IP(EA), eV:

 -8.56(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(N(N=C1C2=CCN(CC2)C3=NC=C(C=N3)Cl)C4=CC=CC=C4)NC(=O)N[C@@H]5CN(O[C@H]5C6=CC(=C(C=C6)F)F)CCOC

DOS

IR

Vibrations