Geometry & MOs

Info

ID:	86747
PubChem CID:	49888844
Reduced:	BrClNSO4H21C26 (1)
Stoich.:	ABCDE4F21G26 (1)
Weight, g/mol:	508.085971
ΔH_f, kcal/mol:	-75.7
Dipole, Da:	0.44
IP(EA), eV:	-9.08(-1.59)
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-methoxyphenoxy]-N-(4-chlorophenyl)acetamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations