Geometry & MOs

Info

ID:

87941

PubChem CID:

49898865

Reduced:

N2S2O7H18C27 (1)

Stoich.:

A2B2C7D18E27 (1)

Weight, g/mol:

552.171893

ΔHf, kcal/mol:

-92.42

Dipole, Da:

6.14

IP(EA), eV:

 -8.87(-2.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(2,5-dimethylphenyl)-2-[2-methoxy-4-[(Z)-[3-(naphthalen-1-ylmethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC=C2CN3C(=O)/C(=C/C4=CC=C(C=C4)OS(=O)(=O)C5=CC=CC(=C5)[N+](=O)[O-])/SC3=O

DOS

IR

Vibrations