Geometry & MOs

Info

ID:

189652

PubChem CID:

77885282

Reduced:

S2O5N7C13H17 (1)

Stoich.:

A2B5C7D13E17 (1)

Weight, g/mol:

541.081418

ΔHf, kcal/mol:

-72.87

Dipole, Da:

6.17

IP(EA), eV:

 -8.48(-1.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

sodium;7-[[2-[2-(aminomethyl)phenyl]acetyl]amino]-3-[[1-(carboxymethyl)tetrazol-5-yl]sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Drug info:

PubChemData

Smile

CN(CCN1C(=NN=N1)SCC2=C(N3C(CC3=O)SC2N)C(=O)O)C(=O)O

DOS

IR

Vibrations