Geometry & MOs

Info

ID:	86711
PubChem CID:	49888595
Reduced:	ClSN2O6C25H25 (1)
Stoich.:	ABC2D6E25F25 (1)
Weight, g/mol:	444.114378
ΔH_f, kcal/mol:	-185.81
Dipole, Da:	6.08
IP(EA), eV:	-9.06(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[(Z)-(3-benzyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]-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)OCC(=O)N4CCOCC4

DOS

IR

Vibrations