Geometry & MOs

Info

ID:

181125

PubChem CID:

76715637

Reduced:

FSN5O6C39H50 (1)

Stoich.:

ABC5D6E39F50 (1)

Weight, g/mol:

738.273478

ΔHf, kcal/mol:

-230.54

Dipole, Da:

2.93

IP(EA), eV:

 -8.79(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-[[2-(2-amino-2-oxoethoxy)phenyl]sulfonylcarbamoyl]-14-methyl-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-en-18-yl] 4-fluoro-1,3-dihydroisoindole-2-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)F)CC2CCCCCC=CC3CC3(CC(=O)C4CC(CN4C2=O)OC5=NC6=CC=CC=C6N5C(C)C)C(=O)NS(=O)(=O)N(C)C

DOS

IR

Vibrations