Geometry & MOs

Info

ID:

440418

PubChem CID:

135230395

Reduced:

F3O4N8C29H29 (1)

Stoich.:

A3B4C8D29E29 (1)

Weight, g/mol:

616.29218

ΔHf, kcal/mol:

-131.19

Dipole, Da:

9.59

IP(EA), eV:

 -9.5(-1.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[(4R,5S)-5-(2-fluoropyridin-4-yl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-3-[5-[6-(4-hydroxypiperidin-1-yl)pyridin-3-yl]-4-methyl-2-phenylpyrazol-3-yl]urea

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations