Geometry & MOs

Info

ID:

425277

PubChem CID:

135125772

Reduced:

ClSO2N4F6H15C19 (1)

Stoich.:

ABC2D4E6F15G19 (1)

Weight, g/mol:

428.138148

ΔHf, kcal/mol:

-299.84

Dipole, Da:

4.95

IP(EA), eV:

 -9.78(-1.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,4R,5S)-4-[2-fluoro-5-[(Z)-2-fluoro-2-(oxolan-2-yl)ethenyl]phenyl]-1-(fluoromethyl)-4-methyl-8,8-dioxo-8lambda6-thia-3-azabicyclo[3.2.1]oct-2-en-2-amine

Drug info:

PubChemData

Smile

C[C@]1(CS(=O)(=O)N(C(=N1)N)C)C2=C(C(=CC(=C2)/C=C(/C3=C(C=C(C=N3)C(F)(F)F)Cl)\F)F)F

DOS

IR

Vibrations