Geometry & MOs

Info

ID:

296679

PubChem CID:

117588346

Reduced:

BrOSN5H10C16 (1)

Stoich.:

ABCD5E10F16 (1)

Weight, g/mol:

515.064334

ΔHf, kcal/mol:

108.75

Dipole, Da:

8.91

IP(EA), eV:

 -9.13(-1.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(Z)-[3-(1-ethoxy-1-oxo-3-phenylpropan-2-yl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-5-thiophen-2-yl-3,4-dihydropyrazole-3-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC(=CC=C1N/C=C\2/C(=O)N3C(=NC(=N3)C4=CC=NC=C4)S2)Br

DOS

IR

Vibrations