Geometry & MOs

Info

ID:

334047

PubChem CID:

127252599

Reduced:

ClN5O8H26C27 (1)

Stoich.:

AB5C8D26E27 (1)

Weight, g/mol:

477.168856

ΔHf, kcal/mol:

-173.37

Dipole, Da:

5.45

IP(EA), eV:

 -8.66(-2.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[2-oxo-2-[(1S,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]ethyl]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=C/C(=C\5/NN(N=N5)CCCC(=O)O)/C=CC4=O

DOS

IR

Vibrations