Geometry & MOs

Info

ID:

440493

PubChem CID:

135230479

Reduced:

O3F4N6C23H24 (1)

Stoich.:

A3B4C6D23E24 (1)

Weight, g/mol:

627.308164

ΔHf, kcal/mol:

-203.9

Dipole, Da:

7.78

IP(EA), eV:

 -9.52(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[5-[2-[(1R,5S)-3-azabicyclo[3.2.1]octan-3-yl]pyrimidin-5-yl]-4-methyl-2-phenylpyrazol-3-yl]-3-[(4R,5S)-5-(2-fluoropyridin-4-yl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]urea

Drug info:

PubChemData

Smile

CC1=NN(C(=C1C(F)(F)F)NC(=O)N[C@@H]2CN(O[C@H]2C3=CC(=NC=C3)F)CCOC)C4=CC=CC=C4

DOS

IR

Vibrations