Geometry & MOs

Info

ID:	88515
PubChem CID:	49903991
Reduced:	BrNSO4H20C25 (1)
Stoich.:	ABCD4E20F25 (1)
Weight, g/mol:	508.068885
ΔH_f, kcal/mol:	-63.64
Dipole, Da:	0.93
IP(EA), eV:	-8.65(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[[3-methoxy-4-(5-nitropyridin-2-yl)oxyphenyl]methylidene]-3-[(2-nitrophenyl)methyl]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=CC=C3Br)OCC4=CC=CC=C4

DOS

IR

Vibrations