Geometry & MOs

Info

ID:	88171
PubChem CID:	49902147
Reduced:	BrNSCl2O5H18C26 (1)
Stoich.:	ABCD2E5F18G26 (1)
Weight, g/mol:	370.062343
ΔH_f, kcal/mol:	-119.86
Dipole, Da:	4.74
IP(EA), eV:	-9.74(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=C(C(=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=CC=C3Br)Cl)OC(=O)C4=CC(=CC=C4)Cl

DOS

IR

Vibrations