Geometry & MOs

Info

ID:

87870

PubChem CID:

49898141

Reduced:

BrNSCl2O4H18C25 (1)

Stoich.:

ABCD2E4F18G25 (1)

Weight, g/mol:

596.88738

ΔHf, kcal/mol:

-80.33

Dipole, Da:

4.43

IP(EA), eV:

 -8.84(-1.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-bromo-4-[(Z)-[3-[(2,6-dichlorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]-6-methoxyphenyl] thiophene-2-carboxylate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC(=C(C=C3)Cl)Cl)OCC4=CC=C(C=C4)Br

DOS

IR

Vibrations