Geometry & MOs

Info

ID:

223910

PubChem CID:

85335755

Reduced:

SN4O10C34H44 (1)

Stoich.:

AB4C10D34E44 (1)

Weight, g/mol:

703.30397

ΔHf, kcal/mol:

-347.62

Dipole, Da:

10.02

IP(EA), eV:

 -9.27(-1.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

14-cyclobutyloxy-18-[2-[2-(ethylamino)-1,3-thiazol-4-yl]-7-methoxyquinolin-4-yl]oxy-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid

Drug info:

PubChemData

Smile

CCOC(=O)CCC1=NC(=NO1)C2=CC=C(C=C2)S(=O)(=O)N(CC(C)C)CC(C(CC3=CC=CC=C3)NC(=O)OC4COC5C4CCO5)O

DOS

IR

Vibrations