Geometry & MOs

Info

ID:

305052

PubChem CID:

124766468

Reduced:

ClSN3O6H18C20 (1)

Stoich.:

ABC3D6E18F20 (1)

Weight, g/mol:

721.94108

ΔHf, kcal/mol:

-58.26

Dipole, Da:

9.33

IP(EA), eV:

 -9.31(-1.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl (2R,6S,8S,12R)-4,10-bis(4-iodophenyl)-3,5,9,11-tetraoxo-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene-13-carboxylate

Drug info:

PubChemData

Smile

C[C@H]1[C@@H]2C[C@H]([C@H]([C@H]2C3=C(C=CC(=C3N1)C(=O)O)[N+](=O)[O-])Cl)SC4=CC=CC=C4[N+](=O)[O-]

DOS

IR

Vibrations