Geometry & MOs

Info

ID:

334904

PubChem CID:

127253710

Reduced:

ClN5O8H30C32 (1)

Stoich.:

AB5C8D30E32 (1)

Weight, g/mol:

488.267508

ΔHf, kcal/mol:

-246.42

Dipole, Da:

8.07

IP(EA), eV:

 -8.26(-1.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-2-(3-benzyl-4,7-dimethyl-2-oxochromen-5-yl)oxyacetamide

Drug info:

PubChemData

Smile

C[C@@H]1CC2=C(C(C3=C(N2)N(C(=O)N(C3=O)C)C)C4=CC5=C(C=C4)N(C(=O)N5C)C)C(=O)[C@]16C(=O)C7=C(O6)C(=C(C=C7OC)OC)Cl

DOS

IR

Vibrations