Geometry & MOs

Info

ID:

149852

PubChem CID:

53789531

Reduced:

N2O3C32H38 (1)

Stoich.:

A2B3C32D38 (1)

Weight, g/mol:

590.050138

ΔHf, kcal/mol:

-75.34

Dipole, Da:

4.27

IP(EA), eV:

 -8.63(-0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[[3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-5,5,8-trioxo-7-[(2,2,2-trifluoroacetyl)amino]-5lambda6-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carbonyl]oxymethyl]benzoic acid

Drug info:

PubChemData

Smile

CCCCCC(CCNC1=CC=CC2=C1C(=O)OC23C4=CC=CC=C4OC5=CC=CC=C35)N(CC)CC

DOS

IR

Vibrations