Geometry & MOs

Info

ID:

218715

PubChem CID:

85089850

Reduced:

NF3O8C23H24 (1)

Stoich.:

AB3C8D23E24 (1)

Weight, g/mol:

499.119541

ΔHf, kcal/mol:

-449.1

Dipole, Da:

4.0

IP(EA), eV:

 -10.02(-1.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2,2-dimethylpropanoyloxymethyl 6-acetyloxy-6-ethyl-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Drug info:

PubChemData

Smile

CC1C(C(CC(O1)OC2C3=C(CC(O2)COC)C(=O)C4=CC=CC=C4C3=O)NC(=O)C(F)(F)F)O

DOS

IR

Vibrations