Geometry & MOs

Info

ID:

444251

PubChem CID:

135261857

Reduced:

SN3O7C15H19 (1)

Stoich.:

AB3C7D15E19 (1)

Weight, g/mol:

852.233522

ΔHf, kcal/mol:

-270.45

Dipole, Da:

6.19

IP(EA), eV:

 -9.65(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[3-[4-[2-[4-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,1,3-trioxo-1,2-benzothiazol-6-yl]amino]ethyl]piperazin-1-yl]ethoxy]phenyl]-4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile

Drug info:

PubChemData

Smile

CS(=O)(=O)OCCCOC1=CN=C(C=C1)C(=O)NC2CCC(=O)NC2=O

DOS

IR

Vibrations