Geometry & MOs

Info

ID:	87805
PubChem CID:	49897566
Reduced:	BrSN2O5H21C23 (1)
Stoich.:	ABC2D5E21F23 (1)
Weight, g/mol:	511.8864
ΔH_f, kcal/mol:	-129.91
Dipole, Da:	3.68
IP(EA), eV:	-9.32(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5Z)-5-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-phenylacetamide

Drug info:

PubChemData

Smile

C1COCCN1C(=O)CN2C(=O)/C(=C/C3=CC(=CC=C3)OCC4=CC=C(C=C4)Br)/SC2=O

DOS

IR

Vibrations