Geometry & MOs

Info

ID:

440580

PubChem CID:

135230577

Reduced:

FO4N9C28H30 (1)

Stoich.:

AB4C9D28E30 (1)

Weight, g/mol:

531.239416

ΔHf, kcal/mol:

-40.38

Dipole, Da:

13.78

IP(EA), eV:

 -9.38(-0.95)

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-(2-methylpyridin-4-yl)-2-phenylpyrazol-3-yl]urea

Drug info:

PubChemData

Smile

CC1=C(N(N=C1C(=O)NCC2=CN=CN=C2)C3=CC=CC=C3)NC(=O)N[C@@H]4CN(O[C@H]4C5=CC(=NC=C5)F)CCOC

DOS

IR

Vibrations