Geometry & MOs

Info

ID:

440584

PubChem CID:

135230581

Reduced:

F2O3N8C27H28 (1)

Stoich.:

A2B3C8D27E28 (1)

Weight, g/mol:

552.240893

ΔHf, kcal/mol:

-47.3

Dipole, Da:

6.13

IP(EA), eV:

 -9.25(-0.97)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(N(N=C1C2=CN=C(N=C2)C)C3=CC=CC=C3)NC(=O)N[C@H]4CN(O[C@@H]4C5=CC(=NC(=C5)F)F)CCOC

DOS

IR

Vibrations