Geometry & MOs

Info

ID:

334267

PubChem CID:

127252819

Reduced:

N6O7C31H34 (1)

Stoich.:

A6B7C31D34 (1)

Weight, g/mol:

537.189986

ΔHf, kcal/mol:

-134.32

Dipole, Da:

6.33

IP(EA), eV:

 -8.36(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3,4-dimethoxy-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

CC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)NCCCC(=O)NC4=NNC(=N4)C5=CC=CO5)OC)OC)OC

DOS

IR

Vibrations