Geometry & MOs

Info

ID:

440372

PubChem CID:

135230331

Reduced:

FO4N8C27H29 (1)

Stoich.:

AB4C8D27E29 (1)

Weight, g/mol:

467.228102

ΔHf, kcal/mol:

-33.44

Dipole, Da:

8.79

IP(EA), eV:

 -9.07(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[(4R,5S)-2-(2-methoxyethyl)-5-methyl-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=CN=C(N=C2)OC)C3=CC=CC=C3)NC(=O)N[C@@H]4CN(O[C@H]4C5=CC(=NC=C5)F)CCOC

DOS

IR

Vibrations