Geometry & MOs

Info

ID:

440437

PubChem CID:

135230414

Reduced:

FO5N9C29H32 (1)

Stoich.:

AB5C9D29E32 (1)

Weight, g/mol:

473.198694

ΔHf, kcal/mol:

-78.44

Dipole, Da:

7.4

IP(EA), eV:

 -9.06(-1.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

DOS

IR

Vibrations