Geometry & MOs

Info

ID:	86678
PubChem CID:	49888459
Reduced:	INSCl3O4H19C26 (1)
Stoich.:	ABCD3E4F19G26 (1)
Weight, g/mol:	488.140593
ΔH_f, kcal/mol:	-82.75
Dipole, Da:	1.95
IP(EA), eV:	-9.5(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(Z)-(3-benzyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-2-ethoxyphenoxy]-N-phenylacetamide

Drug info:

PubChemData

Smile

CCOC1=C(C(=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=C(C=C3)Cl)I)OCC4=C(C=C(C=C4)Cl)Cl

DOS

IR

Vibrations