Geometry & MOs

Info

ID:

440522

PubChem CID:

135230508

Reduced:

F2O5N6C26H32 (1)

Stoich.:

A2B5C6D26E32 (1)

Weight, g/mol:

621.307496

ΔHf, kcal/mol:

-180.25

Dipole, Da:

5.13

IP(EA), eV:

 -8.77(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 4-[5-[[(4R,5S)-5-(2-fluoropyridin-4-yl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylate

Drug info:

PubChemData

Smile

CC1=C(N(N=C1OCC(C)(C)O)C2=CC=CC=C2)NC(=O)N[C@H]3CN(O[C@@H]3C4=CC(=C(N=C4)F)F)CCOC

DOS

IR

Vibrations