Geometry & MOs

Info

ID:

177102

PubChem CID:

76135368

Reduced:

O6C8H15 (2)

Stoich.:

A6B8C15 (2)

Weight, g/mol:

568.04395

ΔHf, kcal/mol:

-565.19

Dipole, Da:

3.07

IP(EA), eV:

 -10.24(0.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-[[2-(5-amino-1,2,4-thiadiazol-3-yl)-2-cyclopentyloxyiminoacetyl]amino]-8-oxo-3-(1,3,4-thiadiazol-2-ylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

CCCC(O)OCC1C(C(C(C(O1)OC2C(OC(C(C2O)O)O)CO)O)O)O

DOS

IR

Vibrations