Geometry & MOs

Info

ID:

223763

PubChem CID:

85335539

Reduced:

ClFSN3O5C25H31 (1)

Stoich.:

ABCD3E5F25G31 (1)

Weight, g/mol:

540.184269

ΔHf, kcal/mol:

-230.58

Dipole, Da:

3.9

IP(EA), eV:

 -9.16(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-[3-[4-[4-[5-[(ethanethioylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazin-1-yl]-3-oxoprop-1-enyl]phenyl] acetate

Drug info:

PubChemData

Smile

C1CC(N(C(C1)C2=CC(=CC=C2)F)S(=O)(=O)C3=CC(=CC=C3)Cl)COC(=O)N4CCN(CC4)CCO

DOS

IR

Vibrations