Geometry & MOs

Info

ID:

335146

PubChem CID:

127254007

Reduced:

ClN3O6C23H28 (1)

Stoich.:

AB3C6D23E28 (1)

Weight, g/mol:

647.147071

ΔHf, kcal/mol:

-220.76

Dipole, Da:

7.85

IP(EA), eV:

 -8.83(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,8'R)-7-chloro-5'-[5-(4-fluorophenyl)furan-2-yl]-4,6-dimethoxy-1',3',8'-trimethylspiro[1-benzofuran-2,7'-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline]-2',3,4',6'-tetrone

Drug info:

PubChemData

Smile

C[C@@H]1CC(=CC(=O)[C@]12C(=O)C3=C(O2)C(=C(C=C3OC)OC)Cl)NC4CCN(CC4)CC(=O)N

DOS

IR

Vibrations