Geometry & MOs

Info

ID:

334570

PubChem CID:

127253245

Reduced:

ClN5O7H22C25 (1)

Stoich.:

AB5C7D22E25 (1)

Weight, g/mol:

593.252586

ΔHf, kcal/mol:

-138.87

Dipole, Da:

5.75

IP(EA), eV:

 -9.03(-1.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3,4-dimethoxy-6-[6-oxo-6-[(1S,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]hexyl]indeno[1,2-c]isoquinoline-5,11-dione

Drug info:

PubChemData

Smile

C[C@@H]1CC(=CC(=O)[C@]12C(=O)C3=C(O2)C(=C(C=C3OC)OC)Cl)NC4=CC=CC=C4C5=NN(N=N5)CC(=O)O

DOS

IR

Vibrations