Geometry & MOs

Info

ID:	86568
PubChem CID:	49887180
Reduced:	BrNSO4H20C21 (1)
Stoich.:	ABCD4E20F21 (1)
Weight, g/mol:	446.093643
ΔH_f, kcal/mol:	-101.37
Dipole, Da:	4.13
IP(EA), eV:	-9.17(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-benzyl-5-[[4-[(4-nitrophenyl)methoxy]phenyl]methylidene]-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=C3)Br)OCC

DOS

IR

Vibrations