Geometry & MOs

Info

ID:

82321

PubChem CID:

49855889

Reduced:

S2N4O7H28C31 (1)

Stoich.:

A2B4C7D28E31 (1)

Weight, g/mol:

618.124292

ΔHf, kcal/mol:

-52.29

Dipole, Da:

14.68

IP(EA), eV:

 -9.34(-1.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4E)-4-[(hydroxyamino)-(4-methylphenyl)methylidene]-1-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]-5-(4-propan-2-ylphenyl)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)C4=CC=C(C=C4)[N+](=O)[O-])C5=CC=C(C=C5)C(C)C)/NOC

DOS

IR

Vibrations