Geometry & MOs

Info

ID:

87555

PubChem CID:

49895351

Reduced:

ClNSO4H24C30 (1)

Stoich.:

ABCD4E24F30 (1)

Weight, g/mol:

564.07184

ΔHf, kcal/mol:

-64.36

Dipole, Da:

2.28

IP(EA), eV:

 -8.82(-1.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CN2C(=O)/C(=C/C3=CC(=C(C(=C3)Cl)OCC4=CC=CC5=CC=CC=C54)OC)/SC2=O

DOS

IR

Vibrations