Geometry & MOs

Info

ID:

189795

PubChem CID:

77906514

Reduced:

NSO4H23C25 (1)

Stoich.:

ABC4D23E25 (1)

Weight, g/mol:

531.031691

ΔHf, kcal/mol:

-58.59

Dipole, Da:

6.51

IP(EA), eV:

 -8.02(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

sodium;7-[acetyl(pyridin-2-ylsulfinyl)amino]-3-[(1-oxidopyridazin-1-ium-3-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-3-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2[C@H]([C@@H](C3=C2C=CC(=C3)OC)C=C)C(=O)C4=CC=CC=C4

DOS

IR

Vibrations