Geometry & MOs

Info

ID:

218781

PubChem CID:

85089964

Reduced:

OSF3N4C26H35 (1)

Stoich.:

ABC3D4E26F35 (1)

Weight, g/mol:

508.271942

ΔHf, kcal/mol:

-162.0

Dipole, Da:

5.54

IP(EA), eV:

 -8.53(-1.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[5-[2-[2-(1,1-dimethylpiperidin-1-ium-4-yl)ethylamino]-2-oxoethyl]pyrrolidin-3-yl]sulfanyl-6-(1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Drug info:

PubChemData

Smile

C1CCN(CC1)CCCNC(=O)C2CC2CN3CCN(CC3)C4=CSC5=C4C=CC(=C5)C(F)(F)F

DOS

IR

Vibrations