Geometry & MOs

Info

ID:

189782

PubChem CID:

77903584

Reduced:

NO4H15C17 (1)

Stoich.:

AB4C15D17 (1)

Weight, g/mol:

659.063499

ΔHf, kcal/mol:

-117.82

Dipole, Da:

4.6

IP(EA), eV:

 -9.51(-0.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-amino-4-[[1-(5-amino-1,2,4-thiadiazol-3-yl)-2-[[3-[[1-(carboxymethyl)tetrazol-5-yl]sulfanylmethyl]-2-carboxyoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]amino]-2-oxoethyl]amino]-4-oxobutanoic acid

Drug info:

PubChemData

Smile

C1C(OC2=C(C1=O)C=CC=C2C(C(=O)N)O)C3=CC=CC=C3

DOS

IR

Vibrations