Geometry & MOs

Info

ID:

179162

PubChem CID:

76443599

Reduced:

PS2N3O3C8H8 (1)

Stoich.:

AB2C3D3E8F8 (1)

Weight, g/mol:

585.034114

ΔHf, kcal/mol:

-89.38

Dipole, Da:

5.72

IP(EA), eV:

 -9.99(-2.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-[[2-(2-amino-1,3-thiazol-4-yl)-2-(2-hydrazinyl-2-oxoethoxy)iminoacetyl]amino]-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC2=NN=NC(=O)C2C(=C1)CSP(=S)(O)O

DOS

IR

Vibrations