Geometry & MOs

Info

ID:	87753
PubChem CID:	49897031
Reduced:	SN3O4H25C29 (1)
Stoich.:	AB3C4D25E29 (1)
Weight, g/mol:	465.93897
ΔH_f, kcal/mol:	-60.68
Dipole, Da:	5.08
IP(EA), eV:	-8.59(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1COCCN1C(=O)CN2C(=O)/C(=C/C3=CN(C4=CC=CC=C43)CC5=CC6=CC=CC=C6C=C5)/SC2=O

DOS

IR

Vibrations