Geometry & MOs

Info

ID:

151369

PubChem CID:

53801152

Reduced:

ClFN2O3C22H34 (1)

Stoich.:

ABC2D3E22F34 (1)

Weight, g/mol:

565.165148

ΔHf, kcal/mol:

-186.71

Dipole, Da:

4.22

IP(EA), eV:

 -8.41(-0.3)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

(6S,7R)-7-[[2-(5-amino-1,2,4-thiadiazol-3-yl)-2-ethoxyiminoacetyl]amino]-3-[(4-carbamoyl-1-azoniabicyclo[2.2.2]octan-1-yl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

CCOC(=O)[C@@H]1CCCN(C1)CCOCCN(CC(C)C)C2=C(C=C(C=C2)F)Cl

DOS

IR

Vibrations