Geometry & MOs

Info

ID:

181049

PubChem CID:

76715561

Reduced:

S3N4O8C37H44 (1)

Stoich.:

A3B4C8D37E44 (1)

Weight, g/mol:

898.380921

ΔHf, kcal/mol:

-238.42

Dipole, Da:

6.09

IP(EA), eV:

 -9.01(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

14-[(3-fluoro-5-methylphenyl)methyl]-18-[7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-4-yl]oxy-6-methyl-N-(1-methylcyclopropyl)sulfonyl-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide

Drug info:

PubChemData

Smile

CS(=O)(=O)N(CC1=CC=CC=C1)C2CCCCCC=CC3CC3(CC(=O)C4CC(CN4C2=O)OC5=NC6=CC=CC=C6S5)C(=O)NS(=O)(=O)C7CC7

DOS

IR

Vibrations