Geometry & MOs

Info

ID:

86587

PubChem CID:

49887467

Reduced:

NSCl2O4H21C26 (1)

Stoich.:

ABC2D4E21F26 (1)

Weight, g/mol:

662.01392

ΔHf, kcal/mol:

-92.21

Dipole, Da:

5.19

IP(EA), eV:

 -8.78(-1.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-[(Z)-[3-[(4-chlorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]-2-ethoxy-6-iodophenoxy]-N-(3-methylphenyl)acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)COC2=C(C=C(C=C2Cl)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=C(C=C4)Cl)OC

DOS

IR

Vibrations