Geometry & MOs

Info

ID:

229859

PubChem CID:

87569380

Reduced:

BrNF3O3H9C13 (1)

Stoich.:

ABC3D3E9F13 (1)

Weight, g/mol:

686.140247

ΔHf, kcal/mol:

-142.37

Dipole, Da:

3.49

IP(EA), eV:

 -10.44(-1.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

S-[5-[(5-chlorothiophene-2-carbonyl)-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]amino]-5-oxopentyl] (2S)-2-amino-3-methylbutanethioate;hydrochloride

Drug info:

PubChemData

Smile

C1[C@H]([C@@H](CC(=C1Br)C=O)[N+](=O)[O-])C2=CC(=C(C=C2F)F)F

DOS

IR

Vibrations