Geometry & MOs

Info

ID:

181091

PubChem CID:

76715603

Reduced:

ClSN2O5C34H37 (1)

Stoich.:

ABC2D5E34F37 (1)

Weight, g/mol:

859.34487

ΔHf, kcal/mol:

-140.06

Dipole, Da:

5.73

IP(EA), eV:

 -9.27(-0.95)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(dimethylsulfamoyl)-14-[(4-fluorophenyl)methyl]-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

CC1=CC(=CC=C1)CC2CCCCCC=CC3CC3(CC(=O)C4CC(CN4C2=O)OC5=NC6=C(S5)C=C(C=C6)Cl)C(=O)O

DOS

IR

Vibrations