Geometry & MOs

Info

ID:

87915

PubChem CID:

49898589

Reduced:

N2S2O6H24C33 (1)

Stoich.:

A2B2C6D24E33 (1)

Weight, g/mol:

712.02957

ΔHf, kcal/mol:

-127.58

Dipole, Da:

5.54

IP(EA), eV:

 -8.86(-1.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(3-chloro-4-methylphenyl)-2-[2-ethoxy-6-iodo-4-[(Z)-[3-(naphthalen-1-ylmethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetamide

Drug info:

PubChemData

Smile

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)OC2=C(C3=CC=CC=C3C=C2)/C=C\4/C(=O)N(C(=O)S4)CC5=CC=CC6=CC=CC=C65

DOS

IR

Vibrations