Geometry & MOs

Info

ID:

147332

PubChem CID:

53786988

Reduced:

N2O5C28H40 (1)

Stoich.:

A2B5C28D40 (1)

Weight, g/mol:

806.098298

ΔHf, kcal/mol:

-130.7

Dipole, Da:

4.53

IP(EA), eV:

 -9.04(-1.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzyl (2S,5R,6R)-2-formamido-3,3-dimethyl-7-oxo-6-[[2-(4-phenylmethoxycarbonyloxyphenyl)-2-(2,2,2-trichloroethoxycarbonylamino)acetyl]amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

Drug info:

PubChemData

Smile

CCCCCCCCN1C2=C(C=CC(=C2)[N+](=O)[O-])C(=C(C1=O)OCC=C(C)CCC=C(C)C)OC

DOS

IR

Vibrations