Geometry & MOs

Info

ID:

148872

PubChem CID:

53788542

Reduced:

SN3O9H19C22 (1)

Stoich.:

AB3C9D19E22 (1)

Weight, g/mol:

501.0842

ΔHf, kcal/mol:

-181.07

Dipole, Da:

3.39

IP(EA), eV:

 -9.15(-1.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4-nitrophenyl)methyl (5S,6S)-3,5,8-trioxo-7-[(2-phenoxyacetyl)amino]-5lambda4-thia-1-azabicyclo[4.2.0]octane-2-carboxylate

Drug info:

PubChemData

Smile

C1C(=O)C(N2[C@@H](S1=O)C(C2=O)NC(=O)COC3=CC=CC=C3)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]

DOS

IR

Vibrations