Geometry & MOs

Info

ID:

233516

PubChem CID:

91145157

Reduced:

SO3N6C28H38 (1)

Stoich.:

AB3C6D28E38 (1)

Weight, g/mol:

587.16724

ΔHf, kcal/mol:

-76.47

Dipole, Da:

1.2

IP(EA), eV:

 -9.27(-0.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl N-[[(5S)-3-[3-fluoro-4-[4-[4-[(4-hydroxy-2-sulfanylidene-3H-1,3-thiazol-5-yl)methyl]phenyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate

Drug info:

PubChemData

Smile

CCC=C(C1=CC=CC=C1)C2=CC=CC(=C2)C(C)C(=O)SCC(C(=O)NC(N)N=C(N)N(C)C)NC(=O)C

DOS

IR

Vibrations