Geometry & MOs

Info

ID:

440636

PubChem CID:

135230667

Reduced:

F2O3N7C29H29 (1)

Stoich.:

A2B3C7D29E29 (1)

Weight, g/mol:

528.224494

ΔHf, kcal/mol:

-78.64

Dipole, Da:

6.84

IP(EA), eV:

 -8.73(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[5-[[(4R,5S)-5-(2-fluoropyridin-4-yl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-1-methylpyrazol-3-yl]-2-methoxy-N-methylpyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1C[C@H]([C@@H](O1)C2=CC(=C(C=C2)F)F)NC(=O)NC3=C(C(=NN3C4=CC=CC=C4)C5=CN=C(N=C5)N6CC(C6)O)C

DOS

IR

Vibrations