Geometry & MOs

Info

ID:

437430

PubChem CID:

135226293

Reduced:

F2O5N6H28C29 (1)

Stoich.:

A2B5C6D28E29 (1)

Weight, g/mol:

575.229245

ΔHf, kcal/mol:

-148.91

Dipole, Da:

12.79

IP(EA), eV:

 -9.36(-1.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 4-[5-[[(4R,5S)-5-(2-fluoropyridin-4-yl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]pyridine-2-carboxylate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations