Geometry & MOs

Info

ID:

382029

PubChem CID:

134972932

Reduced:

N2O4C7H11 (2)

Stoich.:

A2B4C7D11 (2)

Weight, g/mol:

602.214546

ΔHf, kcal/mol:

-279.32

Dipole, Da:

3.84

IP(EA), eV:

 -10.04(-0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

diethyl 2-[[[(2R,5S)-3,5-dihydroxy-6-[(4-methylphenyl)sulfonyloxymethyl]-4-[(2-methylpropan-2-yl)oxycarbonylamino]oxan-2-yl]amino]methylidene]propanedioate

Drug info:

PubChemData

Smile

CCOC(=O)C(=CN[C@H]1C(C([C@@H](C(O1)CO)O)N=[N+]=[N-])O)C(=O)OCC

DOS

IR

Vibrations