Geometry & MOs

Info

ID:

82149

PubChem CID:

49855690

Reduced:

SN3O6H25C26 (1)

Stoich.:

AB3C6D25E26 (1)

Weight, g/mol:

525.172228

ΔHf, kcal/mol:

-142.22

Dipole, Da:

5.05

IP(EA), eV:

 -9.35(-1.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NN=C(S1)N2C(/C(=C(/C3=CC=C(C=C3)OCC(=O)O)\O)/C(=O)C2=O)C4=CC=C(C=C4)C(C)(C)C

DOS

IR

Vibrations