Geometry & MOs

Info

ID:

181178

PubChem CID:

76715691

Reduced:

SN3O7C47H53 (1)

Stoich.:

AB3C7D47E53 (1)

Weight, g/mol:

841.354291

ΔHf, kcal/mol:

-156.09

Dipole, Da:

7.33

IP(EA), eV:

 -8.97(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

14-benzyl-N-(dimethylsulfamoyl)-18-[7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-4-yl]oxy-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)C(=CC(=N2)C3=CC=CC=C3)OC4CC(N(C4)C(=O)C(CCCCCC=C)CC5=CC=CC=C5)C(=O)CC6(CC6C=C)C(=O)NS(=O)(=O)C7CC7

DOS

IR

Vibrations