Geometry & MOs

Info

ID:

189653

PubChem CID:

77885283

Reduced:

NaS2O6N7C20H20 (1)

Stoich.:

AB2C6D7E20F20 (1)

Weight, g/mol:

435.099474

ΔHf, kcal/mol:

-198.61

Dipole, Da:

6.02

IP(EA), eV:

 -9.56(-1.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-amino-3-[[1-[2-(carboxymethylamino)ethyl]tetrazol-5-yl]sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-3-carboxylic acid;hydrate

Drug info:

PubChemData

Smile

C1C(=C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CC=C3CN)C(=O)[O-])CSC4=NN=NN4CC(=O)O.[Na+]

DOS

IR

Vibrations