Geometry & MOs

Info

ID:	87028
PubChem CID:	49890756
Reduced:	SN2O6C19H22 (1)
Stoich.:	AB2C6D19E22 (1)
Weight, g/mol:	520.98923
ΔH_f, kcal/mol:	-202.2
Dipole, Da:	5.16
IP(EA), eV:	-8.59(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[[5-(2-bromo-4-nitrophenyl)furan-2-yl]methylidene]-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)/C=C\2/C(=O)N(C(=O)S2)CC(=O)N3CCOCC3)OC

DOS

IR

Vibrations