Geometry & MOs

Info

ID:

189541

PubChem CID:

77869969

Reduced:

SN4O5C16H19 (2)

Stoich.:

AB4C5D16E19 (2)

Weight, g/mol:

731.166879

ΔHf, kcal/mol:

-282.35

Dipole, Da:

6.0

IP(EA), eV:

 -9.05(-1.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

sodium;7-[[2-[(2-anilino-4-oxo-1,3-diazinan-5-yl)-carbamoylamino]-2-(4-hydroxyphenyl)acetyl]amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Drug info:

PubChemData

Smile

CN(C)CCN1C(=NN=N1)SCC2=C(N3C(C(C3=O)(NC(=O)C(C4=CC=CC=C4)NC(=O)C5=COC6CC(C(CC6C5=O)O)O)OC)SC2)C(=O)O

DOS

IR

Vibrations