Geometry & MOs

Info

ID:	88269
PubChem CID:	49902701
Reduced:	BrNSO4H20C21 (1)
Stoich.:	ABCD4E20F21 (1)
Weight, g/mol:	402.98778
ΔH_f, kcal/mol:	-113.33
Dipole, Da:	7.29
IP(EA), eV:	-8.85(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-[(4-bromophenyl)methyl]-5-[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CCOC1=CC(=C(C=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=C(C=C3)Br)OCC

DOS

IR

Vibrations