Geometry & MOs

Info

ID:	86574
PubChem CID:	49887216
Reduced:	BrNSO3H12C17 (1)
Stoich.:	ABCD3E12F17 (1)
Weight, g/mol:	296.061949
ΔH_f, kcal/mol:	-56.32
Dipole, Da:	1.31
IP(EA), eV:	-9.48(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-benzyl-5-(pyridin-2-ylmethylidene)-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN2C(=O)/C(=C/C3=C(C=CC(=C3)Br)O)/SC2=O

DOS

IR

Vibrations