Geometry & MOs

Info

ID:

440477

PubChem CID:

135230461

Reduced:

F2O4N7C23H29 (1)

Stoich.:

A2B4C7D23E29 (1)

Weight, g/mol:

649.293657

ΔHf, kcal/mol:

-135.6

Dipole, Da:

9.48

IP(EA), eV:

 -8.83(-0.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(N(N=C1C2=CN(N=C2)C)CCO)NC(=O)N[C@@H]3CN(O[C@H]3C4=CC(=C(C=C4)F)F)CCOC

DOS

IR

Vibrations