Geometry & MOs

Info

ID:

181050

PubChem CID:

76715562

Reduced:

FS2N4O7C49H59 (1)

Stoich.:

AB2C4D7E49F59 (1)

Weight, g/mol:

754.304778

ΔHf, kcal/mol:

-240.99

Dipole, Da:

4.83

IP(EA), eV:

 -8.45(-0.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[14-(3-bicyclo[3.1.0]hexanyloxycarbonylamino)-4-(cyclopropylsulfonylcarbamoyl)-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=CC3(CC3(CC(=O)C4CC(CN4C2=O)OC5=CC(=NC6=C5C=CC(=C6C)OC)C7=NC(=CS7)C(C)C)C(=O)NS(=O)(=O)C8(CC8)C)C

DOS

IR

Vibrations