Geometry & MOs

Info

ID:

181043

PubChem CID:

76715555

Reduced:

SN5O6C38H47 (1)

Stoich.:

AB5C6D38E47 (1)

Weight, g/mol:

860.340119

ΔHf, kcal/mol:

-158.45

Dipole, Da:

4.17

IP(EA), eV:

 -9.02(-0.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(dimethylsulfamoyl)-14-(4-fluoroanilino)-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

CCN1C2=C(C=NC=C2)N=C1OC3CC4C(=O)CC5(CC5C=CCCCCCC(C(=O)N4C3)CC6=CC=CC=C6)C(=O)NS(=O)(=O)C7(CC7)C

DOS

IR

Vibrations