Geometry & MOs

Info

ID:

440572

PubChem CID:

135230569

Reduced:

FO4N9C33H38 (1)

Stoich.:

AB4C9D33E38 (1)

Weight, g/mol:

531.239416

ΔHf, kcal/mol:

-65.46

Dipole, Da:

9.93

IP(EA), eV:

 -8.29(-0.6)

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-[4-methyl-5-(6-methylpyridin-3-yl)-2-phenylpyrazol-3-yl]urea

Drug info:

PubChemData

Smile

CC1=C(N(N=C1C2=CN=C(C=C2)N3CCC(C3)NC(=O)C)C4=CC=CC=C4)NC(=O)N[C@@H]5CN(O[C@H]5C6=CC(=NC=C6)F)CCOC

DOS

IR

Vibrations