Geometry & MOs

Info

ID:

183051

PubChem CID:

76972028

Reduced:

ClSN2O4C17H27 (2)

Stoich.:

ABC2D4E17F27 (2)

Weight, g/mol:

638.067188

ΔHf, kcal/mol:

-401.86

Dipole, Da:

9.27

IP(EA), eV:

 -8.72(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(6R,7R)-3-(acetyloxymethyl)-7-[[(2Z)-2-[2-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-1,3-thiazol-4-yl]-2-methoxyiminoacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

CCN1CCC[C@@H]1CNC(=O)C2=C(C=CC(=C2)S(=O)(=O)CC)OC.CCN1CCC[C@H]1CNC(=O)C2=C(C=CC(=C2)S(=O)(=O)CC)OC.Cl.Cl

DOS

IR

Vibrations