Geometry & MOs

Info

ID:

181031

PubChem CID:

76715543

Reduced:

FN4O6C39H47 (1)

Stoich.:

AB4C6D39E47 (1)

Weight, g/mol:

786.307419

ΔHf, kcal/mol:

-247.07

Dipole, Da:

5.94

IP(EA), eV:

 -9.48(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCCCCC=CC2CC2(CC(=O)C3CC(CN3C1=O)OC(=O)N4CC5=C(C4)C(=CC=C5)F)C(=O)NCCC(=O)NCC6=CC=CC=C6

DOS

IR

Vibrations