Geometry & MOs

Info

ID:

132724

PubChem CID:

51407105

Reduced:

ClF2N3O3H24C25 (1)

Stoich.:

AB2C3D3E24F25 (1)

Weight, g/mol:

497.241352

ΔHf, kcal/mol:

-180.79

Dipole, Da:

4.44

IP(EA), eV:

 -8.73(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-O-cyclopentyl 6-O-methyl (4R,6S,7R)-4-(4-ethoxy-3-methoxyphenyl)-2,7-dimethyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3,6-dicarboxylate

Drug info:

PubChemData

Smile

CC1=C([C@H](N2C3=CC=CC=C3N=C2N1)C4=C(C=CC(=C4)Cl)OC(F)F)C(=O)OC5CCCCC5

DOS

IR

Vibrations