Geometry & MOs

Info

ID:

185723

PubChem CID:

77340175

Reduced:

S2O9N10C32H48 (1)

Stoich.:

A2B9C10D32E48 (1)

Weight, g/mol:

418.119858

ΔHf, kcal/mol:

-275.98

Dipole, Da:

5.42

IP(EA), eV:

 -8.76(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-(acetyloxymethyl)-7-[benzoyl(prop-2-enyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-3-carboxylic acid

Drug info:

PubChemData

Smile

C=CCCCCSC1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)CO)O)O)N.C=CCCCCSC1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)CO)O)O)N.O

DOS

IR

Vibrations