Geometry & MOs

Info

ID:

82474

PubChem CID:

49856076

Reduced:

S2N3O5C26H27 (1)

Stoich.:

A2B3C5D26E27 (1)

Weight, g/mol:

657.085127

ΔHf, kcal/mol:

-106.9

Dipole, Da:

7.72

IP(EA), eV:

 -9.31(-1.52)

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-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)C3=NC=C(S3)S(=O)(=O)N(C)C)C4=CC=C(C=C4)C(C)C)/O

DOS

IR

Vibrations