Geometry & MOs

Info

ID:

82632

PubChem CID:

49856265

Reduced:

S2F3N3O8H22C30 (1)

Stoich.:

A2B3C3D8E22F30 (1)

Weight, g/mol:

486.122498

ΔHf, kcal/mol:

-269.67

Dipole, Da:

12.77

IP(EA), eV:

 -9.66(-1.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4E)-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(5-methyl-1,3-thiazol-2-yl)-5-[4-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)C3=NC=C(S3)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-])C5=CC=C(C=C5)OC(F)(F)F)/O

DOS

IR

Vibrations