Geometry & MOs

Info

ID:

134237

PubChem CID:

51666315

Reduced:

NO7C27H35 (1)

Stoich.:

AB7C27D35 (1)

Weight, g/mol:

488.17948

ΔHf, kcal/mol:

-288.62

Dipole, Da:

7.59

IP(EA), eV:

 -8.68(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-O-methyl 3-O-propyl (4S,6R,7R)-4-(4-hydroxy-3-methoxy-5-nitrophenyl)-2,7-dimethyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3,6-dicarboxylate

Drug info:

PubChemData

Smile

CCCOCCOC(=O)C1=C(NC2=C([C@@H]1C3=CC(=CC=C3)OCC)C(=O)[C@@H]([C@@H](C2)C)C(=O)OC)C

DOS

IR

Vibrations