Geometry & MOs

Info

ID:

82322

PubChem CID:

49855890

Reduced:

S2N4O7H26C30 (1)

Stoich.:

A2B4C7D26E30 (1)

Weight, g/mol:

618.087906

ΔHf, kcal/mol:

-54.17

Dipole, Da:

13.89

IP(EA), eV:

 -9.43(-1.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[(3E)-3-[hydroxy-(4-methylphenyl)methylidene]-1-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]-4,5-dioxopyrrolidin-2-yl]-N-methylbenzamide

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)/NO

DOS

IR

Vibrations