Geometry & MOs

Info

ID:

150615

PubChem CID:

53790308

Reduced:

ClN2O3H17C20 (1)

Stoich.:

AB2C3D17E20 (1)

Weight, g/mol:

563.046393

ΔHf, kcal/mol:

-27.64

Dipole, Da:

4.72

IP(EA), eV:

 -8.09(-0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(6S)-7-[[2-(2-formamido-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-8-oxo-3-[(1-prop-2-ynyltetrazol-5-yl)sulfanylmethyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

C1CC2=C(N(C(=C2C=C1)O)C3=NC=C(C(=C3)Cl)OCC4=CC=CC=C4)O

DOS

IR

Vibrations