Geometry & MOs

Info

ID:

170761

PubChem CID:

75277141

Reduced:

FSN3O5H20C26 (1)

Stoich.:

ABC3D5E20F26 (1)

Weight, g/mol:

863.437027

ΔHf, kcal/mol:

-96.62

Dipole, Da:

5.7

IP(EA), eV:

 -8.83(-1.07)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

[1-[1-[1-[1-[1-[1-[1-[1-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]triazol-4-yl]-2-phenylethyl]triazol-4-yl]-2-phenylethyl]triazol-4-yl]-2-phenylethyl]triazol-4-yl]-2-phenylethyl]azanium

Drug info:

PubChemData

Smile

C1CC1S(=O)(=O)NC(=O)C2=C(C3=C(N2CC4=CC=CC=C4F)C=CC5=C3OC=C5)C6C=CC=NC6=O

DOS

IR

Vibrations