Geometry & MOs

Info

ID:	87877
PubChem CID:	49898244
Reduced:	BrClNSO5H19C29 (1)
Stoich.:	ABCDE5F19G29 (1)
Weight, g/mol:	545.01578
ΔH_f, kcal/mol:	-86.61
Dipole, Da:	2.23
IP(EA), eV:	-8.98(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[(3-ethoxy-5-iodo-4-methoxyphenyl)methylidene]-3-(naphthalen-2-ylmethyl)-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=CC4=CC=CC=C43)Br)OC(=O)C5=CC=C(C=C5)Cl

DOS

IR

Vibrations