Geometry & MOs

Info

ID:

87664

PubChem CID:

49896392

Reduced:

ClINS2O6H19C25 (1)

Stoich.:

ABCD2E6F19G25 (1)

Weight, g/mol:

506.106706

ΔHf, kcal/mol:

-140.91

Dipole, Da:

3.92

IP(EA), eV:

 -9.35(-1.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2C(=O)/C(=C/C3=CC(=C(C(=C3)I)OS(=O)(=O)C4=CC=C(C=C4)Cl)OC)/SC2=O

DOS

IR

Vibrations