Geometry & MOs

Info

ID:

82320

PubChem CID:

49855888

Reduced:

SN4O5H22C24 (1)

Stoich.:

AB4C5D22E24 (1)

Weight, g/mol:

632.139942

ΔHf, kcal/mol:

-77.4

Dipole, Da:

8.87

IP(EA), eV:

 -9.26(-1.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4E)-4-[(methoxyamino)-(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=NN=C(S1)N2C(/C(=C(/C3=CC=C(C=C3)OC)\O)/C(=O)C2=O)C4=CC(=CC=C4)C(=O)N(C)C

DOS

IR

Vibrations