Geometry & MOs

Info

ID:

87147

PubChem CID:

49892658

Reduced:

NSCl2O3C25H27 (1)

Stoich.:

ABC2D3E25F27 (1)

Weight, g/mol:

617.97825

ΔHf, kcal/mol:

-125.72

Dipole, Da:

4.65

IP(EA), eV:

 -9.01(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)/C=C\2/C(=O)N(C(=O)S2)CC3=C(C=C(C=C3)Cl)Cl

DOS

IR

Vibrations