Geometry & MOs

Info

ID:

440583

PubChem CID:

135230580

Reduced:

F2O4N8C31H34 (1)

Stoich.:

A2B4C8D31E34 (1)

Weight, g/mol:

550.225243

ΔHf, kcal/mol:

-108.66

Dipole, Da:

9.5

IP(EA), eV:

 -8.26(-0.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[(4S,5R)-5-(2,6-difluoropyridin-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=CC(=C(N=C2)C(=O)NC)NC)C3=CC=CC=C3)NC(=O)N[C@@H]4CN(O[C@H]4C5=CC(=C(C=C5)F)F)CCOC

DOS

IR

Vibrations