Geometry & MOs

Info

ID:

440618

PubChem CID:

135230632

Reduced:

F2O3N7C31H31 (1)

Stoich.:

A2B3C7D31E31 (1)

Weight, g/mol:

547.234331

ΔHf, kcal/mol:

-34.69

Dipole, Da:

7.7

IP(EA), eV:

 -8.48(-0.7)

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-(1-methyl-2-oxopyridin-4-yl)-2-phenylpyrazol-3-yl]urea

Drug info:

PubChemData

Smile

CC1=C(N(N=C1C2=CC3=C(C=C2)N(N=C3)C)C4=CC=CC=C4)NC(=O)N[C@@H]5CN(O[C@H]5C6=CC(=C(C=C6)F)F)CCOC

DOS

IR

Vibrations