Geometry & MOs

Info

ID:

229117

PubChem CID:

87566992

Reduced:

FSCl2O2N4C21H25 (1)

Stoich.:

ABC2D2E4F21G25 (1)

Weight, g/mol:

629.286731

ΔHf, kcal/mol:

-102.3

Dipole, Da:

7.3

IP(EA), eV:

 -9.33(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

S-[(3E)-3-[[3-[4-[[tert-butyl(dimethyl)silyl]oxyamino]-4-oxobutyl]triazol-4-yl]methylidene]-1-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]piperidin-4-yl] ethanethioate

Drug info:

PubChemData

Smile

CC(=O)SC\1CCN(C/C1=C\C2=NC=NN2)C(C3=CC=CC=C3F)C(=O)C4CC4.Cl.Cl

DOS

IR

Vibrations