Geometry & MOs

Info

ID:	80697
PubChem CID:	49835912
Reduced:	BrNS2O4H16C20 (1)
Stoich.:	ABC2D4E16F20 (1)
Weight, g/mol:	328.999192
ΔH_f, kcal/mol:	-75.34
Dipole, Da:	8.27
IP(EA), eV:	-9.33(-1.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(5Z)-5-[(2,4-difluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)OCC2=CC=C(C=C2)Br)/C=C\3/C(=O)N(C(=S)S3)CCC(=O)O

DOS

IR

Vibrations