Geometry & MOs

Info

ID:

440504

PubChem CID:

135230490

Reduced:

F3O4N6C30H35 (1)

Stoich.:

A3B4C6D30E35 (1)

Weight, g/mol:

564.286032

ΔHf, kcal/mol:

-199.07

Dipole, Da:

7.19

IP(EA), eV:

 -8.78(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[5-[(1-acetylpiperidin-4-yl)methoxy]-4-methyl-2-phenylpyrazol-3-yl]-3-[(4R,5S)-2-ethyl-5-(4-fluorophenyl)-1,2-oxazolidin-4-yl]urea

Drug info:

PubChemData

Smile

CC1=C(N(N=C1OCC2CCN(CC2)C(=O)C)C3=CC=CC=C3)NC(=O)N[C@@H]4CN(O[C@H]4C5=CC(=C(C=C5)F)F)CCF

DOS

IR

Vibrations