Geometry & MOs

Info

ID:

88170

PubChem CID:

49902146

Reduced:

BrN2S2O8H19C25 (1)

Stoich.:

AB2C2D8E19F25 (1)

Weight, g/mol:

604.94661

ΔHf, kcal/mol:

-146.29

Dipole, Da:

10.55

IP(EA), eV:

 -8.99(-1.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-[(Z)-[3-[(2-bromophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]-2-chloro-6-ethoxyphenyl] 3-chlorobenzoate

Drug info:

PubChemData

Smile

CCOC1=C(C(=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=CC=C3[N+](=O)[O-])Br)OS(=O)(=O)C4=CC=CC=C4

DOS

IR

Vibrations