Geometry & MOs

Info

ID:

171645

PubChem CID:

75409740

Reduced:

SF2N3O5C22H23 (1)

Stoich.:

AB2C3D5E22F23 (1)

Weight, g/mol:

647.175993

ΔHf, kcal/mol:

-225.31

Dipole, Da:

7.7

IP(EA), eV:

 -9.43(-1.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[5-[(E)-[(2E)-3-(1,3-benzodioxol-5-ylmethyl)-2-(1-cyano-3,3-dimethyl-2-oxobutylidene)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]furan-2-yl]-N,N-diethylbenzenesulfonamide

Drug info:

PubChemData

Smile

COCCCN\1C(=O)/C(=C/C2=CC=CC=C2OC(F)F)/S/C1=C(\C#N)/C(=O)N3CCOCC3

DOS

IR

Vibrations