Geometry & MOs

Info

ID:	86759
PubChem CID:	49888938
Reduced:	NSO3H15C18 (1)
Stoich.:	ABC3D15E18 (1)
Weight, g/mol:	478.075406
ΔH_f, kcal/mol:	-68.44
Dipole, Da:	2.19
IP(EA), eV:	-9.12(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[(Z)-(3-benzyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]-N-(4-chlorophenyl)acetamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)O)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=CC=C3

DOS

IR

Vibrations