Geometry & MOs

Info

ID:

82024

PubChem CID:

49855498

Reduced:

SN4O5C28H30 (1)

Stoich.:

AB4C5D28E30 (1)

Weight, g/mol:

567.149778

ΔHf, kcal/mol:

-97.39

Dipole, Da:

4.48

IP(EA), eV:

 -9.21(-1.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4E)-4-[hydroxy-(4-methylphenyl)methylidene]-1-(5-morpholin-4-ylsulfonyl-1,3-thiazol-2-yl)-5-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations