Geometry & MOs

Info

ID:	82022
PubChem CID:	49855495
Reduced:	ON4H20C22 (1)
Stoich.:	AB4C20D22 (1)
Weight, g/mol:	493.167142
ΔH_f, kcal/mol:	88.61
Dipole, Da:	5.72
IP(EA), eV:	-8.75(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4E)-5-(4-tert-butylphenyl)-4-[hydroxy-[4-(2-hydroxyethoxy)phenyl]methylidene]-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

CC1=NC(N=C1N)(C2=CC=C(C=C2)OC)C3=CC=CC(=C3)C4=CN=CC=C4

DOS

IR

Vibrations