Geometry & MOs

Info

ID:

440395

PubChem CID:

135230354

Reduced:

FO4N10C31H33 (1)

Stoich.:

AB4C10D31E33 (1)

Weight, g/mol:

451.233188

ΔHf, kcal/mol:

-18.27

Dipole, Da:

9.06

IP(EA), eV:

 -8.99(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(N(N=C1C2=CC3=C(N=C2)N(C(=N3)C(=O)NC)C)C4=CC=CC=C4)NC(=O)N[C@@H]5CN(O[C@H]5C6=CC(=NC=C6)F)CCOC

DOS

IR

Vibrations