Geometry & MOs

Info

ID:

49335

PubChem CID:

11532868

Reduced:

N2O5C9H18 (2)

Stoich.:

A2B5C9D18 (2)

Weight, g/mol:

468.135508

ΔHf, kcal/mol:

-463.62

Dipole, Da:

1.58

IP(EA), eV:

 -9.69(0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4-nitrophenyl)methyl (4R,5S,6S)-3-benzylsulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Drug info:

PubChemData

Smile

C1[C@H]([C@@H](C[C@H]([C@@H]1N)O[C@H]2[C@H]([C@@H]([C@H]([C@@H](O2)CN)O)O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CN)O)O)O)N

DOS

IR

Vibrations