Geometry & MOs

Info

ID:

325859

PubChem CID:

126685323

Reduced:

SF4N4O5C32H34 (1)

Stoich.:

AB4C4D5E32F34 (1)

Weight, g/mol:

558.223153

ΔHf, kcal/mol:

-309.39

Dipole, Da:

7.58

IP(EA), eV:

 -9.11(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-amino-3-(4-chlorophenyl)-N-[3-fluoro-2-[2-(2-oxo-2lambda4-thia-1,7-diazabicyclo[4.3.3]dodec-11-yn-9-yl)ethyl]phenyl]-4-methylpentanamide

Drug info:

PubChemData

Smile

COC(=O)N[C@@H]([C@@H](C1=CC=C(C=C1)F)C2=CC(=CC(=C2)F)F)C(=O)NC3=C(C(=CC=C3)F)CCC4CNC5CCCS(=O)(=O)N4C5

DOS

IR

Vibrations