Geometry & MOs

Info

ID:

440379

PubChem CID:

135230338

Reduced:

F2O3N7C28H29 (1)

Stoich.:

A2B3C7D28E29 (1)

Weight, g/mol:

576.240893

ΔHf, kcal/mol:

-68.6

Dipole, Da:

10.2

IP(EA), eV:

 -9.12(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[5-(2-cyclopropylpyrimidin-5-yl)-4-methyl-2-phenylpyrazol-3-yl]-3-[(4R,5S)-5-(5,6-difluoropyridin-3-yl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]urea

Drug info:

PubChemData

Smile

CC1=NC(=C(C=C1)C2=NN(C(=C2C)NC(=O)N[C@@H]3CN(O[C@H]3C4=CC(=NC=C4)F)CCOC)C5=CC=CC=C5)F

DOS

IR

Vibrations