Geometry & MOs

Info

ID:

177166

PubChem CID:

76143225

Reduced:

ClSN3O4H22C25 (1)

Stoich.:

ABC3D4E22F25 (1)

Weight, g/mol:

605.073356

ΔHf, kcal/mol:

-72.58

Dipole, Da:

4.55

IP(EA), eV:

 -9.08(-1.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-[[2-(2-amino-1,3-thiazol-4-yl)-2-[(4-fluorophenyl)methoxyimino]acetyl]amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

COC1=C(C=CC2=CC=CC=C21)S(=O)(=O)NC3CCN(C3=O)CC4=CC5=C(C=C4)C=CN=C5Cl

DOS

IR

Vibrations