Geometry & MOs

Info

ID:

88506

PubChem CID:

49903946

Reduced:

ClSN2O6H21C26 (1)

Stoich.:

ABC2D6E21F26 (1)

Weight, g/mol:

600.01213

ΔHf, kcal/mol:

-82.37

Dipole, Da:

9.82

IP(EA), eV:

 -8.93(-1.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-[(Z)-[3-[(2-bromophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]-2-ethoxyphenoxy]-N-(4-chlorophenyl)acetamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)COC2=C(C=C(C=C2Cl)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=CC=C4[N+](=O)[O-])OC

DOS

IR

Vibrations