Geometry & MOs

Info

ID:

334330

PubChem CID:

127252882

Reduced:

ClN4O6C29H31 (1)

Stoich.:

AB4C6D29E31 (1)

Weight, g/mol:

516.189651

ΔHf, kcal/mol:

-150.4

Dipole, Da:

5.27

IP(EA), eV:

 -8.48(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 3-[6-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3-hydroxy-4-oxopyran-2-yl]-3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanoate

Drug info:

PubChemData

Smile

C[C@@H]1CC(=CC(=O)[C@]12C(=O)C3=C(O2)C(=C(C=C3OC)OC)Cl)NC4=CC5=C(C=C4)N6CCN(CC6=N5)CCOC

DOS

IR

Vibrations