Geometry & MOs

Info

ID:

82631

PubChem CID:

49856264

Reduced:

O3N4H22C24 (1)

Stoich.:

A3B4C22D24 (1)

Weight, g/mol:

673.080042

ΔHf, kcal/mol:

17.51

Dipole, Da:

5.22

IP(EA), eV:

 -8.54(-0.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC(N=C1N)(C2=CC3=C(C=C2)OCCO3)C4=CC=CC(=C4)C5=CC(=CN=C5)OC

DOS

IR

Vibrations