Geometry & MOs

Info

ID:

219406

PubChem CID:

85148368

Reduced:

NSO4C10H10 (2)

Stoich.:

ABC4D10E10 (2)

Weight, g/mol:

480.16787

ΔHf, kcal/mol:

-206.42

Dipole, Da:

5.41

IP(EA), eV:

 -9.2(-1.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[[2,5-dioxo-1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)imidazolidin-4-yl]methylsulfanyl]-6-(1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

COC1=C(C(=C(C=C1)C2C3C(=O)N4C(CC56C(O5)C=CC(C6O4)O)(C(=O)N3)SS2)O)OC

DOS

IR

Vibrations