Geometry & MOs

Info

ID:

440554

PubChem CID:

135230551

Reduced:

ClOF4N4C21H21 (1)

Stoich.:

ABC4D4E21F21 (1)

Weight, g/mol:

658.302745

ΔHf, kcal/mol:

-185.12

Dipole, Da:

8.71

IP(EA), eV:

 -8.95(-0.8)

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]-4-methyl-1-phenylpyrazol-3-yl]-3-methyl-N-(oxan-4-yl)pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)(CF)C(=O)NCC1=CC(=C(C=C1)Cl)C2=NCN(N2)C3=CC=C(C=C3)C(F)(F)F

DOS

IR

Vibrations