Geometry & MOs

Info

ID:

132718

PubChem CID:

51406411

Reduced:

FNO5C27H32 (1)

Stoich.:

ABC5D27E32 (1)

Weight, g/mol:

469.226451

ΔHf, kcal/mol:

-257.46

Dipole, Da:

4.33

IP(EA), eV:

 -8.87(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-O-cycloheptyl 6-O-methyl (4R,6R,7R)-4-(2-fluorophenyl)-2,7-dimethyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3,6-dicarboxylate

Drug info:

PubChemData

Smile

C[C@@H]1CC2=C([C@@H](C(=C(N2)C)C(=O)OC3CCCCCC3)C4=CC=CC=C4F)C(=O)[C@@H]1C(=O)OC

DOS

IR

Vibrations