Geometry & MOs

Info

ID:

45162

PubChem CID:

10508603

Reduced:

N2O9H36C38 (1)

Stoich.:

A2B9C36D38 (1)

Weight, g/mol:

664.365659

ΔHf, kcal/mol:

-245.74

Dipole, Da:

6.23

IP(EA), eV:

 -8.69(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzyl (3R)-3-[9-[[amino(nitramido)methylidene]amino]nonanoylamino]-3-[8-[[amino(nitramido)methylidene]amino]octanoylamino]propanoate

Drug info:

PubChemData

Smile

CO[C@@H]1[C@@H]([C@H](O[C@H]1N2C=CC(=O)N(C2=O)C(=O)C3=CC=CC=C3)COC(C4=CC=CC=C4)(C5=CC=C(C=C5)OC)C6=CC=C(C=C6)OC)O

DOS

IR

Vibrations