Geometry & MOs

Info

ID:	87795
PubChem CID:	49897416
Reduced:	BrSN3O6H24C25 (1)
Stoich.:	ABC3D6E24F25 (1)
Weight, g/mol:	449.120941
ΔH_f, kcal/mol:	-178.5
Dipole, Da:	3.54
IP(EA), eV:	-8.92(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)COC2=C(C=C(C=C2)/C=C\3/C(=O)N(C(=O)S3)CC(=O)N4CCOCC4)Br

DOS

IR

Vibrations