Geometry & MOs

Info

ID:

181061

PubChem CID:

76715573

Reduced:

FSN4O6C43H55 (1)

Stoich.:

ABC4D6E43F55 (1)

Weight, g/mol:

920.281098

ΔHf, kcal/mol:

-229.68

Dipole, Da:

7.65

IP(EA), eV:

 -8.73(-0.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)F)CC2CCCCCC=CC3CC3(CC(=O)C4CC(CN4C2=O)OC5=NC6=CC=CC=C6N5CC(C)(C)C)C(=O)NS(=O)(=O)C7(CC7)C

DOS

IR

Vibrations