Geometry & MOs

Info

ID:	87425
PubChem CID:	49894571
Reduced:	BrNSO4H26C31 (1)
Stoich.:	ABCD4E26F31 (1)
Weight, g/mol:	509.01578
ΔH_f, kcal/mol:	-61.63
Dipole, Da:	4.06
IP(EA), eV:	-9.06(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[(3-ethoxy-5-iodo-4-methoxyphenyl)methylidene]-3-[(4-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=C(C=C3)C)Br)OCC4=CC=CC5=CC=CC=C54

DOS

IR

Vibrations