Geometry & MOs

Info

ID:

87435

PubChem CID:

49894601

Reduced:

BrS2N3O8H16C24 (1)

Stoich.:

AB2C3D8E16F24 (1)

Weight, g/mol:

526.052084

ΔHf, kcal/mol:

-139.05

Dipole, Da:

2.14

IP(EA), eV:

 -9.03(-2.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)NC(=O)CN2C(=O)/C(=C/C3=CC(=C(C=C3)OS(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-])Br)/SC2=O

DOS

IR

Vibrations