Geometry & MOs

Info

ID:	87566
PubChem CID:	49895557
Reduced:	BrNSO4H24C27 (1)
Stoich.:	ABCD4E24F27 (1)
Weight, g/mol:	504.135508
ΔH_f, kcal/mol:	-77.55
Dipole, Da:	2.89
IP(EA), eV:	-9.24(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[[3-ethoxy-4-[(2-nitrophenyl)methoxy]phenyl]methylidene]-3-[(3-methylphenyl)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(=C3)C)Br)OCC4=CC=CC=C4

DOS

IR

Vibrations