Geometry & MOs

Info

ID:

82634

PubChem CID:

49856267

Reduced:

SN2F3O4H21C25 (1)

Stoich.:

AB2C3D4E21F25 (1)

Weight, g/mol:

641.090212

ΔHf, kcal/mol:

-238.67

Dipole, Da:

4.29

IP(EA), eV:

 -8.88(-1.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CN=C(S1)N2C(/C(=C(/C3=CC=C(C=C3)C(C)C)\O)/C(=O)C2=O)C4=CC=C(C=C4)OC(F)(F)F

DOS

IR

Vibrations