Geometry & MOs

Info

ID:

440405

PubChem CID:

135230382

Reduced:

F2O3N7C28H31 (1)

Stoich.:

A2B3C7D28E31 (1)

Weight, g/mol:

573.213595

ΔHf, kcal/mol:

-60.75

Dipole, Da:

5.89

IP(EA), eV:

 -8.75(-0.43)

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-(7-oxo-5H-furo[3,4-b]pyridin-3-yl)-2-phenylpyrazol-3-yl]urea

Drug info:

PubChemData

Smile

CC1=C(N(N=C1C2=CN(N=C2)C)CC3=CC=CC=C3)NC(=O)N[C@@H]4CN(O[C@H]4C5=CC(=C(C=C5)F)F)CCOC

DOS

IR

Vibrations