Geometry & MOs

Info

ID:

83569

PubChem CID:

49857985

Reduced:

N2S2O6C23H32 (1)

Stoich.:

A2B2C6D23E32 (1)

Weight, g/mol:

565.07259

ΔHf, kcal/mol:

-238.1

Dipole, Da:

6.03

IP(EA), eV:

 -8.4(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4E)-4-[hydroxy-(4-methylphenyl)methylidene]-5-(3-methylimidazol-4-yl)-1-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]pyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

CN1CCC[C@@H]1CC2=CNC3=C2C=C(C=C3)CCS(=O)(=O)C4=CC=CC=C4.CS(=O)(=O)O.O

DOS

IR

Vibrations