Geometry & MOs

Info

ID:	87704
PubChem CID:	49896659
Reduced:	BrSN2O3H15C20 (1)
Stoich.:	ABC2D3E15F20 (1)
Weight, g/mol:	462.104956
ΔH_f, kcal/mol:	-37.95
Dipole, Da:	4.41
IP(EA), eV:	-8.92(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5Z)-5-[[3-[(2-fluorophenyl)methoxy]phenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-phenylacetamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)/C=C(/C=C\2/C(=O)N(C(=O)S2)CC(=O)NC3=CC=CC=C3)\Br

DOS

IR

Vibrations