Geometry & MOs

Info

ID:

334078

PubChem CID:

127252630

Reduced:

ClN3O10C32H32 (1)

Stoich.:

AB3C10D32E32 (1)

Weight, g/mol:

477.262757

ΔHf, kcal/mol:

-324.45

Dipole, Da:

5.32

IP(EA), eV:

 -8.01(-0.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[(1S,9R)-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-7-ene-3-carbonyl]-5,8-dimethoxy-1-methylquinolin-4-one

Drug info:

PubChemData

Smile

C[C@@H]1CC2=C(C(C3=C(N2)N(C(=O)N(C3=O)C)C)C4=CC(=C(C=C4OC)OC)OC)C(=O)[C@]15C(=O)C6=C(O5)C(=C(C=C6OC)OC)Cl

DOS

IR

Vibrations