Geometry & MOs

Info

ID:

305201

PubChem CID:

124767520

Reduced:

FN2O2H19C23 (1)

Stoich.:

AB2C2D19E23 (1)

Weight, g/mol:

563.251917

ΔHf, kcal/mol:

-16.51

Dipole, Da:

4.38

IP(EA), eV:

 -8.46(-0.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2R)-oxolan-2-yl]methyl (4S,7S)-7-(2-methoxyphenyl)-2-methyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=NN3[C@@H](C2)C4=CC=CC=C4O[C@H]3C5=CC=CC=C5F

DOS

IR

Vibrations