Geometry & MOs

Info

ID:

440653

PubChem CID:

135230787

Reduced:

FO5N8C29H33 (1)

Stoich.:

AB5C8D29E33 (1)

Weight, g/mol:

529.244895

ΔHf, kcal/mol:

-74.39

Dipole, Da:

9.52

IP(EA), eV:

 -9.1(-0.8)

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-[2-hydroxy-2-(methylamino)ethoxy]-4-methyl-2-phenylpyrazol-3-yl]urea

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations