Geometry & MOs

Info

ID:

334510

PubChem CID:

127253185

Reduced:

ClN2O8H25C26 (1)

Stoich.:

AB2C8D25E26 (1)

Weight, g/mol:

488.242356

ΔHf, kcal/mol:

-262.29

Dipole, Da:

4.3

IP(EA), eV:

 -8.91(-0.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

10-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]-9-methyl-11-oxo-8-oxa-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene-12-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1CC(=CC(=O)[C@]12C(=O)C3=C(O2)C(=C(C=C3OC)OC)Cl)NCC(=O)NC4=CC=C(C=C4)C(=O)OC

DOS

IR

Vibrations