Geometry & MOs

Info

ID:	88414
PubChem CID:	49903363
Reduced:	BrNSO4H20C22 (1)
Stoich.:	ABCD4E20F22 (1)
Weight, g/mol:	512.9068
ΔH_f, kcal/mol:	-78.57
Dipole, Da:	5.23
IP(EA), eV:	-8.68(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[(3-bromo-4,5-dimethoxyphenyl)methylidene]-3-[(2-bromophenyl)methyl]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)CC=C)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=CC=C3Br

DOS

IR

Vibrations