Geometry & MOs

Info

ID:	87229
PubChem CID:	49893386
Reduced:	NSCl3O4H18C25 (1)
Stoich.:	ABC3D4E18F25 (1)
Weight, g/mol:	512.036434
ΔH_f, kcal/mol:	-93.26
Dipole, Da:	6.05
IP(EA), eV:	-9.05(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1OCC2=CC=CC=C2Cl)/C=C\3/C(=O)N(C(=O)S3)CC4=C(C=C(C=C4)Cl)Cl

DOS

IR

Vibrations