Geometry & MOs

Info

ID:

440609

PubChem CID:

135230623

Reduced:

F2O3N9C32H37 (1)

Stoich.:

A2B3C9D32E37 (1)

Weight, g/mol:

540.266045

ΔHf, kcal/mol:

-50.24

Dipole, Da:

7.2

IP(EA), eV:

 -8.34(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[(4R,5S)-5-(3,4-difluorophenyl)-2-ethyl-1,2-oxazolidin-4-yl]-3-[4-methyl-5-(1-methylpiperidin-4-yl)oxy-2-phenylpyrazol-3-yl]urea

Drug info:

PubChemData

Smile

CC1=C(N(N=C1C2=CN=C(N=C2)N3CCN(CC3)C)C4=CC=CC=C4)NC(=O)N[C@@H]5CN(O[C@H]5C6=CC(=C(C=C6)F)F)CCOC

DOS

IR

Vibrations